SCHEMBL3540676

SCHEMBL3540676

Cc1c(C=O)nn(CCC#N)c1-c1cc(F)cc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.51
OPRK1 P41145 1/20 0.51
KCNH2 Q12809 1/20 0.51
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
ALDH1A1 P00352 7/20 0.35
CYP3A4 P08684 3/20 0.35
USP2 O75604 3/20 0.35
CASP1 P29466 3/20 0.35
CASP7 P55210 3/20 0.35
CYP1A2 P05177 3/20 0.35
HSD17B10 Q99714 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 2/20 0.35
CYP2C9 P11712 2/20 0.35
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
HIF1A Q16665 2/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL3542671 0.81 OPRL1 (0.36) OPRL1OPRK1KCNH2PGRNR3C2
SCHEMBL3542836 0.77 GRM5 (0.43) OPRL1KCNH2KMT2A
SCHEMBL3541717 0.70 PIK3CD (0.33) OPRL1
SCHEMBL3539678 0.69 OPRL1 (0.36) OPRL1OPRK1KCNH2ALDH1A1
SCHEMBL3540877 0.68 OPRL1 (1.00) OPRL1OPRK1KCNH2
SCHEMBL3542829 0.68 BRD9 (0.34) OPRL1
SCHEMBL3543380 0.67 OPRL1 (0.41) OPRL1OPRK1KCNH2PGRNR3C2
SCHEMBL3541946 0.65 OPRL1 (0.36) OPRL1KCNH2
SCHEMBL3535578 0.64 OPRL1 (0.43) OPRL1KCNH2KMT2A
SCHEMBL3549443 0.64 OPRL1 (0.43) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 US disclosed
EP-1935881-A1 ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 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 (1 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-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds OPRL1, NPSR1, NPBWR1 OPRL1 1/4885OPRK1 7/4885KCNH2 766/4885

“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.