SCHEMBL3548146

SCHEMBL3548146

CCn1nc(C=O)c(C)c1-c1cnc(C)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.50
KCNH2 Q12809 2/20 0.33
VRK1 Q99986 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
PIK3CD O00329 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
SCHEMBL3543380 0.90 OPRL1 (0.41) OPRL1KCNH2VRK1OPRM1OPRK1
SCHEMBL3543476 0.83 ALDH1A1 (0.37) OPRL1KCNH2ADORA2B
SCHEMBL3541557 0.83 OPRL1 (0.47) OPRL1KCNH2VRK1OPRM1OPRK1
SCHEMBL3542829 0.82 BRD9 (0.34) OPRL1
SCHEMBL3542671 0.80 OPRL1 (0.36) OPRL1KCNH2OPRK1ADORA2AADORA2B
SCHEMBL3539430 0.80 OPRL1 (0.35) OPRL1KCNH2VRK1
SCHEMBL3544013 0.80 OPRL1 (0.49) OPRL1KCNH2VRK1PIK3CD
SCHEMBL3541731 0.67 OPRL1 (1.00) OPRL1KCNH2OPRM1OPRK1
SCHEMBL29955433 0.65 ALDH1A1 (0.37) VRK1
SCHEMBL335669 0.65 ALDH1A1 (0.37) VRK1

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 766/4885VRK1 2004/4885

“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.