SCHEMBL3548087

SCHEMBL3548087

COCc1c(CNC2CCC(OC)CC2)n[nH]c1-c1cc(F)cc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.48
CHEK1 O14757 5/20 0.34
KCNH2 Q12809 3/20 0.32
OPRK1 P41145 1/20 0.32
APP P05067 1/20 0.32
BACE1 P56817 1/20 0.32
CYP2D6 P10635 1/20 0.30
GRIN2B Q13224 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
SCHEMBL3548090 1.00 OPRL1 (0.48) OPRL1CHEK1KCNH2OPRK1APP
SCHEMBL3543411 0.90 OPRL1 (0.48) OPRL1KCNH2CYP2D6GRIN2B
SCHEMBL3541528 0.87 OPRL1 (0.46) OPRL1CHEK1
SCHEMBL3540425 0.86 OPRL1 (0.66) OPRL1CHEK1KCNH2OPRK1
SCHEMBL3538955 0.80 OPRL1 (0.43) OPRL1KCNH2
SCHEMBL3549840 0.77 OPRL1 (0.54) OPRL1KCNH2OPRK1
SCHEMBL3540330 0.72 OPRL1 (0.53) OPRL1CHEK1KCNH2OPRK1
SCHEMBL3540333 0.72 OPRL1 (0.53) OPRL1CHEK1KCNH2OPRK1
SCHEMBL3541395 0.70 OPRL1 (0.71) OPRL1KCNH2OPRK1
SCHEMBL3541398 0.70 OPRL1 (0.71) OPRL1KCNH2OPRK1

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 1/4885CHEK1 3856/4885KCNH2 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.