SCHEMBL438181

SCHEMBL438181

CC(C)CCN1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.38
MC4R P32245 1/20 0.35
SIGMAR1 Q99720 4/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL12000726 0.92
SCHEMBL6057217 0.92 ALOX15 (0.38) SIGMAR1TP53SMN1; SMN2
SCHEMBL20438382 0.92 ALOX15 (0.38) SIGMAR1TP53SMN1; SMN2
SCHEMBL17806050 0.91 CHKA (0.43) SIGMAR1ALDH1A1
SCHEMBL24513247 0.87 KDM4E (0.38) PAOXSMN1; SMN2GAA
SCHEMBL25730522 0.87 KDM4E (0.40) PAOXMC4R
SCHEMBL438183 0.85 PAOX (0.44) PAOXSIGMAR1ALDH1A1TP53SMN1; SMN2
SCHEMBL438495 0.85 SIGMAR1 (0.33) SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL105381 0.83 PAOX (0.47) PAOXSIGMAR1ALDH1A1TP53SMN1; SMN2
SCHEMBL25123284 0.82 GBA1 (0.43) TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239804-A1 FUROINDAZOLE DERIVATIVES AS ANTAGONISTS OR INHIBITORS OF GPR84 BAYER AKTIENGESELLSCHAFT (DE) 2024-07-18 US disclosed
US-20240239804-A1 FUROINDAZOLE DERIVATIVES AS ANTAGONISTS OR INHIBITORS OF GPR84 BAYER AKTIENGESELLSCHAFT (DE) 2024-07-18 US disclosed
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed
US-12024484-B2 Lipid formulations for gene editing VERVE THERAPEUTICS, INC. (US) 2024-07-02 US disclosed
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
WO-2024092011-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed
WO-2023244806-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THAT DEGRADE SWI/SNF-RELATED MATRIX-ASSOCIATED ACTIN-DEPENDENT REGULATOR OF CHROMATIN SUBFAMILY A Plexium, Inc. (US) 2023-12-21 WO disclosed
US-11834448-B2 2-amino-quinoline derivatives BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2023-12-05 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197546-A1 QUINOLINE-4-CARBOXAMIDE AS NK-2 AND NK-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM SPA, ITALY 2007-08-23 US disclosed
US-20070197546-A1 QUINOLINE-4-CARBOXAMIDE AS NK-2 AND NK-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM SPA, ITALY 2007-08-23 US disclosed
US-7235563-B2 Spirocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-26 US disclosed
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2007-06-21 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
WO-2007038669-A2 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2007-04-05 WO disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 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 (11 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-12024484-B2 Lipid formulations for gene editing LIPA, LIPC, ABHD16A PAOX 468/4885MC4R 3289/4885SIGMAR1 2373/4885
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD PAOX 3319/4885MC4R 2255/4885SIGMAR1 3266/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 PAOX 2674/4885MC4R 335/4885SIGMAR1 3649/4885
US-11834448-B2 2-amino-quinoline derivatives TLR7, TLR8, TLR1 PAOX 1456/4885MC4R 596/4885SIGMAR1 1470/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK PAOX 2057/4885MC4R 4234/4885SIGMAR1 4116/4885
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif AADAC, MRPL21, HDAC6 PAOX 2062/4885MC4R 2433/4885SIGMAR1 1670/4885
US-20070197546-A1 QUINOLINE-4-CARBOXAMIDE AS NK-2 AND NK-3 RECEPTOR ANTAGONISTS KCNH2, KCNH3, KCNJ2 PAOX 4389/4885MC4R 1623/4885SIGMAR1 350/4885
US-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR PAOX 1898/4885MC4R 932/4885SIGMAR1 2216/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 PAOX 1271/4885MC4R 795/4885SIGMAR1 1412/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 PAOX 537/4885MC4R 461/4885SIGMAR1 1488/4885
US-20240239804-A1 FUROINDAZOLE DERIVATIVES AS ANTAGONISTS OR INHIBITORS OF GPR84 GPR84, GPR88, FFAR1 PAOX 266/4885MC4R 103/4885SIGMAR1 804/4885

“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.