SCHEMBL3576114

SCHEMBL3576114

COC1(c2ccc(Br)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.40
OPRD1 P41143 4/20 0.40
OPRK1 P41145 4/20 0.40
OPRL1 P41146 3/20 0.40
ALOX5 P09917 3/20 0.37
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DRD2 P14416 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL1739685 0.91 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL19128530 0.91 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL12845017 0.90 ALOX5 (0.38) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL19458949 0.86 MMP2 (0.35) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL8186215 0.86 ALOX5 (0.48) OPRM1OPRD1OPRK1OPRL1ALOX5
Hydrochloric Acid SCHEMBL19459106 0.85 MMP2 (0.35) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL12665882 0.85 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL17316449 0.81 TAAR1 (0.39) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL19482448 0.80 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL31353592 0.79 ALOX5 (0.42) OPRM1OPRD1OPRK1OPRL1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115581-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS AG (CH) 2025-04-10 US disclosed
WO-2023244817-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN disclosed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US disclosed
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-19 US disclosed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 US disclosed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 EP disclosed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 US disclosed
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 WO disclosed
CN-102361857-B Can be used as the ring-type benzimidizole derivatives of antidiabetic MERCK SHARP & DOHME CORP. (US) 2015-09-16 CN disclosed
US-6387892-B1 SKIN DISORDERS; ANTIPROLIFERATIVE AGENT ALLERGAN SALES, INC. 2002-05-14 US disclosed
US-6380256-B1 FOR THERAPY OF DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS ALLERGAN SALES, INC. 2002-04-30 US disclosed
US-6369225-B1 ENZYME INHIBITORS ALLERGAN SALES, INC. 2002-04-09 US disclosed
US-6369261-B1 CYCLOPROPYLBENZENE DERIVATIVE OF ACIDS OR ESTERS ALLERGAN SALES, INC. 2002-04-09 US disclosed
WO-2002026727-A2 METHODS OF PROVIDING AND USING COMPOUNDS (RETINOIDS) HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-04-04 WO disclosed
US-6359135-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2002-03-19 US disclosed
US-6313107-B1 ADMINISTERING TO MAMMAL TO TREAT DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS ALLERGAN SALES, INC. 2001-11-06 US disclosed
US-6303785-B1 SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES ALLERGAN SALES, INC. 2001-10-16 US disclosed
US-6291677-B1 FOR TREATING SKIN-RELATED DISEASES, INCLUDING, ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-INFLAMMATORY ACNE, PSORIASIS, ICHTHYOSES AND KERATINIZATION AND HYPERPROLIFERATIVE DISORDERS OF SKIN ALLERGAN SALES, INC. 2001-09-18 US disclosed
US-6252090-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2001-06-26 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 (4 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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G OPRM1 715/4885OPRD1 567/4885OPRK1 929/4885
US-20250115581-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS CKS1B, CSNK1A1, CKS2 OPRM1 2529/4885OPRD1 1614/4885OPRK1 641/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G OPRM1 715/4885OPRD1 567/4885OPRK1 929/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G OPRM1 715/4885OPRD1 567/4885OPRK1 929/4885

“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.