SCHEMBL3542829

SCHEMBL3542829

CCn1nc(C=O)c(C)c1-c1cc(F)c(Cl)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.34
OPRL1 P41146 1/20 0.33
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
CREBBP Q92793 1/20 0.31

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 0.85 OPRL1 (0.36) OPRL1
SCHEMBL3548146 0.82 OPRL1 (0.50) OPRL1
SCHEMBL3543100 0.77 OPRL1 (0.40) BRD9OPRL1
SCHEMBL3543380 0.72 OPRL1 (0.41) OPRL1
SCHEMBL3549443 0.70 OPRL1 (0.43) OPRL1
SCHEMBL3539785 0.69 OPRL1 (0.36) BRD9OPRL1
SCHEMBL3543476 0.69 ALDH1A1 (0.37) OPRL1
SCHEMBL3540676 0.68 OPRL1 (0.51) OPRL1
SCHEMBL3544918 0.66 OPRL1 (0.75) OPRL1
SCHEMBL3542836 0.65 GRM5 (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 BRD9 2661/4885OPRL1 1/4885BRD4 1295/4885

“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.