SCHEMBL3538855

SCHEMBL3538855

CN1CCC[C@H]1[C@@H](N)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.55
CHRNA3 P32297 5/20 0.55
OPRM1 P35372 7/20 0.50
OPRD1 P41143 7/20 0.50
OPRK1 P41145 7/20 0.50
OPRL1 P41146 7/20 0.50
CHRNB2 P17787 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL5187982 1.00 CHRNB4 (0.55) CHRNB4CHRNA3OPRM1OPRD1OPRK1
SCHEMBL13403254 1.00 CHRNB4 (0.55) CHRNB4CHRNA3OPRM1OPRD1OPRK1
SCHEMBL3538856 1.00 CHRNB4 (0.55) CHRNB4CHRNA3OPRM1OPRD1OPRK1
SCHEMBL31568823 1.00 CHRNB4 (0.55) CHRNB4CHRNA3OPRM1OPRD1OPRK1
SCHEMBL1797148 0.95 CHRNB4 (0.50) CHRNB4CHRNA3OPRM1OPRD1OPRK1
SCHEMBL1795653 0.95 CHRNB4 (0.50) CHRNB4CHRNA3OPRM1OPRD1OPRK1
SCHEMBL1794388 0.95 CHRNB4 (0.50) CHRNB4CHRNA3OPRM1OPRD1OPRK1
SCHEMBL1797151 0.95 CHRNB4 (0.50) CHRNB4CHRNA3OPRM1OPRD1OPRK1
SCHEMBL1795410 0.95 CHRNB4 (0.50) CHRNB4CHRNA3OPRM1OPRD1OPRK1
SCHEMBL13403267 0.93 CHRNB4 (0.49) CHRNB4CHRNA3OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700585-B2 Derivatives of N-[phenyl(pyrrolidine-2-YL)methyl]benzamide and N-[(azepan-2-YL) phenylmethyl]benzamide, preparation method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2010-04-20 US disclosed
US-20070208006-A1 DERIVATIVES OF N-[PHENYL(PYRROLIDINE-2-YL)METHYL]BENZAMIDE AND N-[(AZEPAN-2-YL)PHENYLMETHYL]BENZAMIDE, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-09-06 US disclosed
EP-1680400-B1 DERIVATIVES OF N-[ PHENYL(PYRROLIDINE-2-YL)METHYL]BENZAMIDE AND N-[ (AZEPAN-2-YL)PHENYLMETHYL]BENZAMIDE, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-06-06 EP disclosed
US-7226917-B2 Derivatives of N-[phenyl(pyrrolidine-2-yl)methyl]benzamide and N-[(azepan-2-yl)phenylmethyl]benzamide, preparation, and use in treatment of schizophrenia SANOFI-AVENTIS (FR) 2007-06-05 US disclosed
US-20060223802-A1 Derivatives of N-[phenyl(pyrrolidine-2-yl)methyl]benzamide and N-[(azepan-2-yl)phenylmethyl]benzamide, preparation method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2006-10-05 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 (2 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-20070208006-A1 DERIVATIVES OF N-[PHENYL(PYRROLIDINE-2-YL)METHYL]BENZAMIDE AND N-[(AZEPAN-2-YL)PHENYLMETHYL]BENZAMIDE, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SNCA, CHRNA10, CHRNA5 CHRNB4 71/4885CHRNA3 21/4885OPRM1 60/4885
US-20060223802-A1 Derivatives of N-[phenyl(pyrrolidine-2-yl)methyl]benzamide and N-[(azepan-2-yl)phenylmethyl]benzamide, preparation method thereof and application of same in therapeutics SNCA, CHRNA10, CHRNA5 CHRNB4 71/4885CHRNA3 21/4885OPRM1 60/4885

“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.