SCHEMBL367535

SCHEMBL367535

O=C(O)C1CCc2ccccc2C1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.53
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
ANPEP P15144 1/20 0.50
PLAU P00749 1/20 0.48
P2RX7 Q99572 1/20 0.48
GHSR Q92847 1/20 0.48
AKR1C3 P42330 2/20 0.43
AKR1C1 Q04828 1/20 0.43
CYP1A2 P05177 1/20 0.43
GRIN2B Q13224 1/20 0.42

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
SCHEMBL6427539 1.00 FAAH (0.53) FAAHMTNR1AMTNR1BANPEPPLAU
SCHEMBL5608206 1.00 FAAH (0.53) FAAHMTNR1AMTNR1BANPEPPLAU
Hydrochloric Acid SCHEMBL9266537 0.98 ANPEP (0.53) FAAHMTNR1AMTNR1BANPEPPLAU
SCHEMBL3519807 0.90 RAB9A (0.48) FAAHMTNR1AMTNR1BANPEPPLAU
SCHEMBL3525109 0.89 MME (0.45) FAAHMTNR1AMTNR1BANPEP
SCHEMBL289302 0.85 AKR1C3 (0.50) FAAHP2RX7AKR1C3AKR1C1
SCHEMBL29443025 0.85 AKR1C3 (0.50) FAAHP2RX7AKR1C3AKR1C1
SCHEMBL1193346 0.84 FAAH (0.53) FAAHMTNR1AMTNR1BANPEPPLAU
SCHEMBL6534185 0.84 FAAH (0.53) FAAHMTNR1AMTNR1BANPEPPLAU
SCHEMBL7352959 0.83 AKR1C3 (0.48) FAAHAKR1C3AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939748-B Method for preparing deuterated compound through decarboxylation and deuteration of carboxylic acid 中国科学院大连化学物理研究所 2022-11-01 CN claimed
CN-112939748-A Method for preparing deuterated compound through decarboxylation and deuteration of carboxylic acid 中国科学院大连化学物理研究所 2021-06-11 CN claimed
EP-2220060-B1 TETRAHYDROBENZOTHIAZOLE DERIVATIVES MOTAC NEUROSCIENCE LTD (GB) 2016-09-14 EP claimed
CN-104419326-A Slurry composition for chemical mechanical polishing COWON INNOTECH INC 2015-03-18 CN claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP claimed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP claimed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO claimed
US-20050209297-A1 Pyrazole derivatives PFIZER INC 2005-09-22 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
US-5652093-A Analogues of reporter groups as background reducers in binding assays APROGENEX, INC. (US) 1997-07-29 US claimed
US-5501952-A Analogues of reporter groups as background reducers in hybridization assays APROGENEX, INC. (US) 1996-03-26 US claimed
WO-1995002699-A1 ANALOGUES OF REPORTER GROUPS AS BACKGROUNG REDUCERS IN HYBRIDIZATION ASSAYS APROGENEX, INC. (US) 1995-01-26 WO 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 (3 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-20050209297-A1 Pyrazole derivatives CDK1, CDK3, CDK5 FAAH 4593/4885MTNR1A 1188/4885MTNR1B 1920/4885
US-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 FAAH 4822/4885MTNR1A 830/4885MTNR1B 1118/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 FAAH 1258/4885MTNR1A 3547/4885MTNR1B 3235/4885

“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.