SCHEMBL1106464

SCHEMBL1106464

CN1CCC(OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ NCF1 P14598 1/20 0.36
▸ CHRM3 P20309 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SCN1A P35498 1/20 0.34
▸ SCN2A Q99250 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
SCHEMBL12395681 0.91 SMN1; SMN2 (0.34) HRH3CHRM1CHRM2HTR1AADRA2A
SCHEMBL1106428 0.88 ALDH1A1 (0.34) HRH3CHRM1CHRM2HTR1AADRA2A
SCHEMBL3934470 0.86 CHRM1 (0.37) HRH3CHRM1CHRM2HTR1AADRA2A
SCHEMBL3934475 0.86 CHRM1 (0.37) HRH3CHRM1CHRM2HTR1AADRA2A
SCHEMBL13701205 0.86 CHRM1 (0.37) HRH3CHRM1CHRM2HTR1AADRA2A
SCHEMBL21664591 0.83 HRH3 (0.32) HRH3CHRM1CHRM2HTR1AADRA2A
SCHEMBL24089519 0.81 HRH3 (0.37) HRH3CHRM1CHRM2HTR1AADRA2A
SCHEMBL19230281 0.81 NCF1 (0.38) HRH3CHRM1CHRM2HTR1AADRA2A
SCHEMBL24242980 0.79 — —
SCHEMBL19431283 0.79 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 — — US disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 — — US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 — — US disclosed
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-19 — — US disclosed
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-19 — — US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 — — US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 — — US disclosed
EP-3820573-B1 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF IKAROS FAMILY ZINC FINGER 2 (IKZF2)-DEPENDENT DISEASES NOVARTIS AG (CH) 2023-08-09 — — EP disclosed
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-08-03 — — US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
US-20110034689-A1 N4-Phenyl-Quinazoline-4-Amine Derivatives and Related Compounds as ErbB Type I Receptor Tyrosine Kinase Inhibitors for the Treatment of Hyperproliferative Diseases ARRAY BIOPHARMA, INC. 2011-02-10 — — US disclosed
US-7868013-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-01-11 — — US disclosed
US-7858633-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2010-12-28 — — US disclosed
US-20100249084-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-30 — — US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 — — US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 — — US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 — — US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 — — US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 — — US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 — — 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB HRH3 1379/4885CHRM1 4292/4885CHRM2 4376/4885
US-20100249084-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA3, ADORA1, ADORA2A HRH3 193/4885CHRM1 249/4885CHRM2 239/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HRH3 1829/4885CHRM1 3306/4885CHRM2 4059/4885
US-20110034689-A1 N4-Phenyl-Quinazoline-4-Amine Derivatives and Related Compounds as ErbB Type I Receptor Tyrosine Kinase Inhibitors for the Treatment of Hyperproliferative Diseases ERBB4, ERBB2, ERBB3 HRH3 386/4885CHRM1 798/4885CHRM2 1487/4885
US-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK HRH3 128/4885CHRM1 672/4885CHRM2 754/4885
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, KRAS, HRAS HRH3 2775/4885CHRM1 4883/4885CHRM2 4874/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 HRH3 1750/4885CHRM1 4792/4885CHRM2 4859/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS HRH3 2868/4885CHRM1 4880/4885CHRM2 4872/4885
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS HRH3 1107/4885CHRM1 4285/4885CHRM2 4366/4885
US-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS HRH3 2767/4885CHRM1 4624/4885CHRM2 4336/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS HRH3 1494/4885CHRM1 4727/4885CHRM2 4569/4885

“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.

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