SCHEMBL3543380

SCHEMBL3543380

CCCn1nc(C=O)c(C)c1-c1cnc(C)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.41
KCNH2 Q12809 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ERN1 O75460 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
VRK1 Q99986 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
KDM1A O60341 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL3548146 0.90 OPRL1 (0.50) OPRL1KCNH2ADORA2AADORA2BVRK1
SCHEMBL3541557 0.83 OPRL1 (0.47) OPRL1KCNH2ERN1VRK1OPRM1
SCHEMBL3543476 0.81 ALDH1A1 (0.37) OPRL1KCNH2ADORA2BPGRNR3C2
SCHEMBL3539430 0.78 OPRL1 (0.35) OPRL1KCNH2VRK1
SCHEMBL3544013 0.78 OPRL1 (0.49) OPRL1KCNH2VRK1
SCHEMBL3542829 0.72 BRD9 (0.34) OPRL1
SCHEMBL3542671 0.70 OPRL1 (0.36) OPRL1KCNH2ADORA2AADORA2BPGR
SCHEMBL3541228 0.69 OPRL1 (0.86) OPRL1KCNH2OPRM1OPRK1
SCHEMBL3540676 0.67 OPRL1 (0.51) OPRL1KCNH2PGRNR3C2OPRK1
SCHEMBL3549443 0.66 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 1/4885KCNH2 766/4885ADORA2A 412/4885

“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.