SCHEMBL2980756

SCHEMBL2980756

CC(=O)Cc1ccncc1C#N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.41
CYP2E1 P05181 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 2/20 0.37
SLC22A12 Q96S37 2/20 0.37
ELANE P08246 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CLK1 P49759 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL794054 0.83 MAPT (0.42) GPR119CYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL3822143 0.80 CYP2E1 (0.57) GPR119CYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL17377024 0.80 MAPT (0.49) GPR119KDM4EALDH1A1LMNAHPGD
SCHEMBL1447858 0.77 HTT (0.42) GPR119CYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL3280017 0.77 NCOA3 (0.42) GPR119CYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL3280015 0.77 HTT (0.42) GPR119CYP2E1CYP2C8CYP2D6CYP2A6
Hydrochloric Acid SCHEMBL15905458 0.75 HTT (0.41) GPR119CYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL4748186 0.75 ALDH1A1 (0.48) KDM4EALDH1A1
SCHEMBL13320901 0.74 MAPT (0.44) ELANEHTTKDM4EALDH1A1MAPT
SCHEMBL8071332 0.74 AOC1 (0.55) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786177-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-08-31 US disclosed
US-7645770-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-01-12 US disclosed
US-20090186914-A1 Phenylalanine Enamide Derivatives UCB PHARMA, S.A. (BE) 2009-07-23 US disclosed
US-7531549-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-05-12 US disclosed
US-20090105291-A1 Phenylalanine Enamide Derivatives RIGEL PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7501437-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-03-10 US disclosed
CN-101293867-A Phenylalanine enamide derivatives possessing a cyclobutene group, for use as integrin inhibitors CELLTECH R&D LTD (GB) 2008-10-29 CN disclosed
CN-100400513-C Phenylalanine enamide derivatives containing cyclobutene groups for use as integrin inhibitors CELLTECH R&D LTD (GB) 2008-07-09 CN disclosed
EP-1332132-B1 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES UCB PHARMA SA (BE) 2007-10-10 EP disclosed
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders UCB PHARMA S.A. (BE) 2007-07-19 US disclosed
CN-1582276-A Phenylalanine enamide derivatives CELLTECH R&D LTD (GB) 2005-02-16 CN disclosed
US-6780874-B2 AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE AGENT CELLTECH R & D LIMITED (GB) 2004-08-24 US disclosed
EP-1370531-A1 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS Celltech R & D Limited (GB) 2003-12-17 EP disclosed
US-20030229116-A1 ENAMINE DERIVATIVES UCB PHARMA S.A. (BE) 2003-12-11 US disclosed
US-6610700-B2 Inhibit binding of integrins to their ligands, use in immune or inflammatory disorders; 3-(4-((2,6-Naphthyridinyl)amino)-phenyl)-2-((2-(1-ethylpropyl)-3-oxo-1 -cyclopentenyl) amino)-propionic acid, for example CELLTECH R & D LIMITED (GB) 2003-08-26 US disclosed
US-6545013-B2 Of squaric acids; inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders or disorders involving the inappropriate growth or migration of cells. CELLTECH R&D LIMITED (GB) 2003-04-08 US disclosed
US-20020169336-A1 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2002-11-14 US disclosed
WO-2002068393-A1 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS CELLTECH R & D LIMITED (GB) 2002-09-06 WO disclosed
US-20020115684-A1 2, 7-naphthyridine derivatives CELLTECH R&D, LTD. (GB) 2002-08-22 US disclosed
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 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 (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-20020037909-A1 Enamine derivatives CCR1, ITGB2, CCR10 GPR119 735/4885CYP2E1 277/4885CYP2C8 1202/4885
US-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR GPR119 519/4885CYP2E1 889/4885CYP2C8 1065/4885
US-20030229116-A1 ENAMINE DERIVATIVES ITGB2, CCR1, CCR10 GPR119 754/4885CYP2E1 306/4885CYP2C8 1339/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH GPR119 397/4885CYP2E1 654/4885CYP2C8 1083/4885
US-20020115684-A1 2, 7-naphthyridine derivatives VCAM1, ICAM1, SELL GPR119 677/4885CYP2E1 934/4885CYP2C8 3004/4885
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders ITGB2, VCAM1, ITGB1 GPR119 431/4885CYP2E1 1144/4885CYP2C8 2712/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR GPR119 519/4885CYP2E1 889/4885CYP2C8 1065/4885

“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.