SCHEMBL220038

SCHEMBL220038

CC(C)CCNCc1ccc(Cn2ccc3cc(C(N)=O)ccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.52
PLG P00747 2/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
HDAC6 Q9UBN7 10/20 0.50
HDAC8 Q9BY41 8/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC1 Q13547 8/20 0.48
HDAC2 Q92769 8/20 0.48
HDAC3 O15379 7/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC9 Q9UKV0 1/20 0.45
PPARG P37231 2/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL218188 0.94 PLG (0.49) PLAUPLGOPRM1OPRD1OPRK1
SCHEMBL3883149 0.84 HDAC6 (0.47) PLAUPLGOPRM1OPRD1OPRK1
SCHEMBL15612752 0.82 PLAU (0.59) PLAUPLGHDAC6HDAC8HDAC11
SCHEMBL220311 0.81 PLAU (0.52) PLAUPLGHDAC6HDAC8HDAC11
SCHEMBL220832 0.80 PLG (0.48) PLAUPLGOPRM1OPRD1OPRK1
SCHEMBL221760 0.79 PLA2G4A (0.49) PLAUPLGOPRM1OPRD1OPRK1
SCHEMBL221369 0.78 PLAU (0.60) PLAUPLGHDAC6HDAC8HDAC11
SCHEMBL219825 0.77 PLG (0.48) PLAUPLGHDAC6HDAC8HDAC11
SCHEMBL28247458 0.77 PLAU (0.62) PLAUPLGHDAC6HDAC8HDAC11
SCHEMBL219690 0.77 HDAC6 (0.60) PLAUPLGOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088800-B2 4-(5-aminomethyl)-indole-1-ylmethyl)-benzamide derivatives and related compounds as opioid receptor antagonists for the treatment of obesity ELI LILLY AND COMPANY (US) 2012-01-03 US claimed
EP-1751103-B1 4-(5-(AMINOMETHYL)-INDOLE-1-YLMETHYL)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY LILLY CO ELI (US) 2009-01-14 EP claimed
US-20070155793-A1 4-(5-AMINOMETHYL)-INDOLE-1-YLMETHYL)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY ELI LILLY AND COMPANY 2007-07-05 US claimed
US-8088800-B2 4-(5-aminomethyl)-indole-1-ylmethyl)-benzamide derivatives and related compounds as opioid receptor antagonists for the treatment of obesity ELI LILLY AND COMPANY (US) 2012-01-03 US disclosed
US-8088800-B2 4-(5-aminomethyl)-indole-1-ylmethyl)-benzamide derivatives and related compounds as opioid receptor antagonists for the treatment of obesity ELI LILLY AND COMPANY (US) 2012-01-03 US disclosed
US-8088800-B2 4-(5-aminomethyl)-indole-1-ylmethyl)-benzamide derivatives and related compounds as opioid receptor antagonists for the treatment of obesity ELI LILLY AND COMPANY (US) 2012-01-03 US disclosed
EP-1751103-B1 4-(5-(AMINOMETHYL)-INDOLE-1-YLMETHYL)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY LILLY CO ELI (US) 2009-01-14 EP disclosed
EP-1751103-B1 4-(5-(AMINOMETHYL)-INDOLE-1-YLMETHYL)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY LILLY CO ELI (US) 2009-01-14 EP disclosed
US-20070155793-A1 4-(5-AMINOMETHYL)-INDOLE-1-YLMETHYL)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY ELI LILLY AND COMPANY 2007-07-05 US disclosed
US-20070155793-A1 4-(5-AMINOMETHYL)-INDOLE-1-YLMETHYL)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY ELI LILLY AND COMPANY 2007-07-05 US disclosed
US-20070155793-A1 4-(5-AMINOMETHYL)-INDOLE-1-YLMETHYL)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY ELI LILLY AND COMPANY 2007-07-05 US disclosed
EP-1751103-A1 4-(5-(AMINOMETHYL)-INDOLE-1-YLMETHYL)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY ELI LILLY AND COMPANY (US) 2007-02-14 EP disclosed
WO-2005090303-A1 4- (5- (AMINOMETHYL) -INDOLE-1-YLMETHYL) -BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY ELI LILLY AND COMPANY (US) 2005-09-29 WO 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-20070155793-A1 4-(5-AMINOMETHYL)-INDOLE-1-YLMETHYL)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS OPIOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY OPRM1, OPRD1, OPRK1 PLAU 4230/4885PLG 4114/4885OPRM1 1/4885

“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.