SCHEMBL5657114

SCHEMBL5657114

O=c1[nH]c2ccccc2n1N1CCC(Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.45
▸ OPRK1 P41145 3/20 0.45
▸ OPRL1 P41146 3/20 0.45
▸ CHRM1 P11229 3/20 0.44
▸ CHRM2 P08172 2/20 0.44
▸ CHRM4 P08173 2/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ DAO P14920 1/20 0.44
▸ OPRD1 P41143 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41

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
SCHEMBL6793990 0.86 CHRM2 (0.43) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL2718551 0.81 LMNA (0.51) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL5204992 0.80 DAO (0.47) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL7220315 0.73 DAO (0.44) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL3195760 0.71 HTR7 (0.48) OPRM1OPRK1CHRM1CHRM2CHRM3
SCHEMBL3195768 0.70 HTR7 (0.53) OPRM1OPRK1CHRM1CHRM2CHRM3
SCHEMBL319049 0.67 CHRM1 (0.70) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL23832547 0.67 LMNA (0.48) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL13081211 0.67 OPRM1 (0.69) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL2722129 0.66 OPRM1 (0.47) OPRM1OPRK1OPRL1CHRM1CHRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205292-B2 Piperidines containing a lactam ring and a quinolinone, benzimidazolone, quinazolinone or benzodiazepinone group, e.g. N-[3R,7R)-1-(Cyclopropylmethyl)-2-oxo-7-phenylazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3 (2H-yl)piperidine-1-carboxamide; treating headaches, migraine headaches and cluster headaches MERCK & CO., INC. (US) 2007-04-17 — — US disclosed
US-20060194783-A1 Cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-08-31 — — US 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-20060194783-A1 Cgrp receptor antagonists BDKRB1, CCKBR, BDKRB2 OPRM1 121/4885OPRK1 46/4885OPRL1 18/4885

“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.

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