SCHEMBL693640

SCHEMBL693640

CC1(C)Cc2c[c]ccc2O1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2297398 0.85 ALDH1A1 (0.33) ALDH1A1MAPTKDM4E
SCHEMBL639912 0.81 MAPT (0.38) ALDH1A1MAPTKDM4E
SCHEMBL9103991 0.77
SCHEMBL27792494 0.75 MAPT (0.54) ALDH1A1MAPTKDM4E
SCHEMBL1441712 0.71 PKM (0.41) ALDH1A1MAPTKDM4E
SCHEMBL1147445 0.70 PKM (0.36) ALDH1A1MAPTKDM4E
SCHEMBL9077845 0.70 AKR1B1 (0.32)
SCHEMBL5547341 0.68 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL27792497 0.67 MEN1 (0.39)
SCHEMBL5534901 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345693-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2022-05-31 US claimed
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
US-20200270239-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2020-08-27 US claimed
EP-3672954-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES Acadia Pharmaceuticals Inc. (US) 2020-07-01 EP claimed
CN-111132976-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2020-05-08 CN claimed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP claimed
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 claimed
WO-2019040107-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO claimed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US claimed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 US claimed
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-08-28 US claimed
EP-2646429-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-10-09 EP claimed
US-8445477-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-21 US claimed
WO-2012075115-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2012-06-07 WO claimed
US-20120142733-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-07 US claimed
EP-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-5536725-A Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines FMC CORPORATION (US) 1996-07-16 US claimed
US-4767779-A Pyrazoline-1-carboxamides, composition containing them, and insecticidal method of using them FMC CORPORATION (US) 1988-08-30 US claimed

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

For each of this compound's patents that has machine-readable text (7 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 ALDH1A1 3435/4885MAPT 1301/4885KDM4E 3649/4885
US-20200270239-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 ALDH1A1 240/4885MAPT 1125/4885KDM4E 4595/4885
US-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B ALDH1A1 1424/4885MAPT 2234/4885KDM4E 12/4885
US-11345693-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 ALDH1A1 240/4885MAPT 1125/4885KDM4E 4595/4885
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ALDH1A1 364/4885MAPT 4519/4885KDM4E 1931/4885
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ALDH1A1 364/4885MAPT 4519/4885KDM4E 1931/4885
US-20120142733-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 CCR2, CCR5, CCR1 ALDH1A1 298/4885MAPT 4818/4885KDM4E 1448/4885

“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.