SCHEMBL8085779

SCHEMBL8085779

CC(C)CCN1CCC(O)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.43
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
LTA4H P09960 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
GBA1 P04062 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37
DPP4 P27487 2/20 0.37
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
SIGMAR1 Q99720 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18233564 1.00 KCNA3 (0.43) KCNA3PDCD1CD274LTA4HHRH3
SCHEMBL13519663 1.00 KCNA3 (0.43) KCNA3PDCD1CD274LTA4HHRH3
SCHEMBL6957321 0.89 KCNA3 (0.53) KCNA3GBA1ARG1ARG2
SCHEMBL17574694 0.88 GBA1 (0.47) KCNA3PDCD1CD274HRH3GBA1
SCHEMBL6961970 0.88 ALDH1A1 (0.45) HRH3GBA1HRH2HRH1
SCHEMBL26012973 0.88 GBA1 (0.47) KCNA3PDCD1CD274HRH3GBA1
SCHEMBL13519611 0.88 ALDH1A1 (0.45) HRH3GBA1HRH2HRH1
SCHEMBL12225611 0.88 ALDH1A1 (0.45) HRH3GBA1HRH2HRH1
SCHEMBL19958437 0.88 GBA1 (0.47) KCNA3PDCD1CD274HRH3GBA1
SCHEMBL24428913 0.86 GBA1 (0.42) KCNA3PDCD1CD274HRH3GBA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
US-11813260-B1 Benzamide compounds RECURIUM IP HOLDINGS, LLC (US) 2023-11-14 US disclosed
US-11813259-B2 Benzamide compounds RECURIUM IP HOLDINGS, LLC (US) 2023-11-14 US disclosed
US-20230257390-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE AND THEIR USE LIEBER INSTITUTE, INC. 2023-08-17 US disclosed
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-10-27 US disclosed
US-20220273666-A1 NANOPARTICLE FORMULATION OF BCL-2 INHIBITOR RECURIUM IP HOLDINGS, LLC 2022-09-01 US disclosed
US-11318134-B2 Benzamide compounds RECURIUM IP HOLDINGS, LLC (US) 2022-05-03 US disclosed
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof InventisBio Co., Ltd. (CN) 2021-12-21 US disclosed
US-20210292323-A1 Quinolone Derivatives as Fibroblast Growth Factor Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2021-09-23 US disclosed
EP-3878451-A1 PHARMACEUTICAL COMPOSITION COMPRISING A JAK-INHIBITING 4,6-SUBSTITUTED-PYRAZOLO[1,5-A]PYRAZINE COMPOUND Array Biopharma Inc. (US) 2021-09-15 EP disclosed
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-08-11 US disclosed
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-07-14 US disclosed
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS HANDOK INC. (KR) 2016-06-16 US disclosed
WO-2015120049-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2015-08-13 WO disclosed
US-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 US disclosed
US-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-07-12 US disclosed
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US disclosed
US-7642245-B2 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2010-01-05 US disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2007-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11813259-B2 Benzamide compounds MKI67, TMBIM6, HDAC1 KCNA3 1827/4885PDCD1 1136/4885CD274 2973/4885
US-11813260-B1 Benzamide compounds MKI67, TMBIM6, HDAC1 KCNA3 1827/4885PDCD1 1136/4885CD274 2973/4885
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD KCNA3 3700/4885PDCD1 1160/4885CD274 1982/4885
US-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, EIF4EBP1 KCNA3 3274/4885PDCD1 1325/4885CD274 2630/4885
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 KCNA3 2889/4885PDCD1 1720/4885CD274 2844/4885
US-11318134-B2 Benzamide compounds MKI67, TMBIM6, HDAC1 KCNA3 1827/4885PDCD1 1136/4885CD274 2973/4885
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif AADAC, MRPL21, HDAC6 KCNA3 1578/4885PDCD1 2120/4885CD274 2590/4885
US-20220273666-A1 NANOPARTICLE FORMULATION OF BCL-2 INHIBITOR BCL2, BCL2L2, BCL2L1 KCNA3 4472/4885PDCD1 515/4885CD274 1805/4885
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, TP53 KCNA3 3825/4885PDCD1 1285/4885CD274 1923/4885
US-20230257390-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE AND THEIR USE POLR2E, POLR2H, POLRMT KCNA3 3561/4885PDCD1 1411/4885CD274 3636/4885
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 KCNA3 4461/4885PDCD1 1926/4885CD274 1742/4885
US-20210292323-A1 Quinolone Derivatives as Fibroblast Growth Factor Inhibitors FGFR1, FGFR3, FGFR2 KCNA3 4322/4885PDCD1 1307/4885CD274 1236/4885
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR KCNA3 4294/4885PDCD1 4748/4885CD274 4872/4885
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR KCNA3 2554/4885PDCD1 988/4885CD274 2179/4885
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 KCNA3 4461/4885PDCD1 1926/4885CD274 1742/4885
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS NR4A3, NR4A1, NR3C1 KCNA3 1746/4885PDCD1 3314/4885CD274 2695/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.