SCHEMBL3549443

SCHEMBL3549443

Cc1c(C=O)nn(C)c1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.43
MGLL Q99685 18/20 0.36
GRM5 P41594 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
SCHEMBL3542836 0.86 GRM5 (0.43) OPRL1MGLLGRM5
SCHEMBL3541557 0.82 OPRL1 (0.47) OPRL1GRM5
SCHEMBL27573988 0.76 KDM4C (0.44) GRM5
SCHEMBL3542829 0.70 BRD9 (0.34) OPRL1
SCHEMBL3535578 0.69 OPRL1 (0.43) OPRL1MGLLGRM5
SCHEMBL3550160 0.68 GRM5 (0.34) OPRL1MGLLGRM5
SCHEMBL3542671 0.67 OPRL1 (0.36) OPRL1MGLLGRM5
SCHEMBL3541946 0.67 OPRL1 (0.36) OPRL1MGLLGRM5
SCHEMBL3541717 0.67 PIK3CD (0.33) OPRL1GRM5
SCHEMBL3543962 0.67 GRM5 (0.34) OPRL1MGLLGRM5

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 1/4885MGLL 3496/4885GRM5 374/4885

“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.