SCHEMBL4420636

SCHEMBL4420636

CC(=O)NC1CCC(=O)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.56
MTNR1B P49286 6/20 0.56
TLR4 O00206 1/20 0.47
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL11275440 0.88 MTNR1A (0.49) MTNR1AMTNR1BTLR4ATMKDM4E
SCHEMBL658632 0.87 MTNR1A (0.50) MTNR1AMTNR1BTLR4ATMKDM4E
SCHEMBL17294237 0.82
SCHEMBL5089466 0.81 MTNR1A (0.37) MTNR1AMTNR1BTLR4THRBCA1
SCHEMBL5006986 0.81 MTNR1A (0.37) MTNR1AMTNR1BTLR4THRBCA1
SCHEMBL5091076 0.81 MTNR1A (0.37) MTNR1AMTNR1BTLR4THRBCA1
SCHEMBL31551125 0.79 MTNR1A (0.36) MTNR1AMTNR1BTLR4THRBCA1
SCHEMBL9807704 0.78 MTNR1A (0.42) MTNR1AMTNR1BTLR4ATMKDM4E
SCHEMBL720531 0.76 CTSK (0.50) CA1CA2
SCHEMBL720530 0.76 CTSK (0.50) CA1CA2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905286-B Flavonoid compound derivative and application thereof 江苏恩华药业股份有限公司 2020-07-24 CN disclosed
CN-106905286-A A kind of flavone compound derivative and its application 江苏恩华药业股份有限公司 2017-06-30 CN disclosed
US-9562009-B2 Process to manufacture N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxo-pyrrolidin-3-yl]acetamide HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US disclosed
US-20160237032-A1 PROCESS TO MANUFACTURE N-[(3S)-1-[4-[(3-FLUOROPHENYL)METHOXY]PHENYL]-5-OXO-PYRROLIDIN-3-YL]ACETAMIDE HOFFMANN-LA ROCHE INC. (US) 2016-08-18 US disclosed
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2005-07-28 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
EP-1451175-A1 THROMBIN INHIBITORS University of Ljubljana (SI) 2004-09-01 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 WO disclosed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 WO 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 (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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 MTNR1A 3083/4885MTNR1B 1140/4885TLR4 4621/4885
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants SERPINC1, TFPI, SERPINE1 MTNR1A 1608/4885MTNR1B 1020/4885TLR4 3884/4885
US-20160237032-A1 PROCESS TO MANUFACTURE N-[(3S)-1-[4-[(3-FLUOROPHENYL)METHOXY]PHENYL]-5-OXO-PYRROLIDIN-3-YL]ACETAMIDE NANS, PFAS, ALDH18A1 MTNR1A 3970/4885MTNR1B 4125/4885TLR4 4618/4885

“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.