SCHEMBL3587986

SCHEMBL3587986

O=C(O)Cn1ccnc1CO

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.49
ALPG P10696 2/20 0.40
PLAA Q9Y263 1/20 0.40
ALPL P05186 1/20 0.39
ESR1 P03372 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 1/20 0.38
CSNK2A2 P19784 2/20 0.38
CSNK2A1 P68400 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 1/20 0.37
PTGS2 P35354 1/20 0.37
HTT P42858 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
SCHEMBL17669581 0.85 FPR2 (0.52) FPR2ALPGPLAAALPLESR1
SCHEMBL24201119 0.83 FPR2 (0.48) FPR2ALPGPLAAALPLESR1
SCHEMBL371254 0.83 ALPG (0.56) FPR2ALPGPLAAALPLESR1
SCHEMBL12037553 0.80 ALPG (0.47) FPR2ALPGPLAAALPLSMN1; SMN2
SCHEMBL13310633 0.79 FPR2 (0.45) FPR2ALPGPLAAALPLESR1
SCHEMBL10292434 0.79 FPR2 (0.45) FPR2ALPGPLAAALPLESR1
SCHEMBL16577159 0.79 FPR2 (0.48) FPR2ALPGPLAAALPLESR1
SCHEMBL20724674 0.79 FPR2 (0.45) FPR2ALPGPLAAALPLESR1
SCHEMBL3582565 0.79 FPR2 (0.43) FPR2ALPGPLAAALPLSMN1; SMN2
SCHEMBL21167172 0.78 FPR2 (0.44) FPR2ALPGPLAAALPLESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP 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 (2 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 FPR2 2833/4885ALPG 3697/4885PLAA 4215/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 FPR2 64/4885ALPG 3565/4885PLAA 3390/4885

“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.