SCHEMBL718796

SCHEMBL718796

O=C(O)c1ccc(NC(c2cc3ccccc3s2)C2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.53
OPRM1 P35372 1/20 0.43
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
IKBKG Q9Y6K9 1/20 0.42
TEAD4 Q15561 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTR1E P28566 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR3 Q99500 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MERTK Q12866 1/20 0.38
HSD17B2 P37059 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
PGR P06401 1/20 0.37
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37

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
SCHEMBL717386 0.85 GCG (0.46) RCE1OPRM1
SCHEMBL716274 0.83 OPRM1 (0.44) RCE1OPRM1
SCHEMBL14905675 0.83 RCE1 (0.46) RCE1GABBR2GABBR1
SCHEMBL14905728 0.83 RCE1 (0.43) RCE1TRPV1
SCHEMBL719470 0.77 RCE1 (0.53) RCE1TEAD4MEN1LMNAHTR1E
SCHEMBL719271 0.77 OPRM1 (0.41) RCE1OPRM1
SCHEMBL720764 0.77 RCE1 (0.46) RCE1TEAD4HTR1ES1PR3MERTK
SCHEMBL718541 0.77 RCE1 (0.46) RCE1TEAD4HTR1ES1PR3MERTK
SCHEMBL719002 0.76 RCE1 (0.52) RCE1TEAD4LMNAHTTMERTK
SCHEMBL718249 0.76 RCE1 (0.44) RCE1MEN1HTR1EKMT2AS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RCE1 2661/4885OPRM1 4546/4885IKBKB 111/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RCE1 2661/4885OPRM1 4546/4885IKBKB 111/4885

“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.