SCHEMBL220461

SCHEMBL220461

N#Cc1ccc2c(ccn2Cc2ccc(C=O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.51
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
SNCA P37840 4/20 0.46
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
DHFR P00374 1/20 0.42
SLC2A1 P11166 1/20 0.42
PLG P00747 1/20 0.42

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
SCHEMBL220738 0.92 APP (0.54) APPCYP11B1CYP11B2SNCANPC1
SCHEMBL6085432 0.83 HDAC3 (0.49) APPSNCAHDAC8HDAC6HDAC3
SCHEMBL6706729 0.82 HDAC3 (0.50) APPCYP11B1CYP11B2SNCAHDAC8
SCHEMBL1247611 0.82 APP (0.60) APPSNCANPC1HSP90AA1HDAC8
SCHEMBL31258068 0.78 NPC1 (0.52) APPSNCANPC1HSP90AA1HDAC8
SCHEMBL16824122 0.77 PRMT5 (0.46) APPP2RX7PRMT5
SCHEMBL2740459 0.77 NPC1 (0.46) APPSNCANPC1HSP90AA1HDAC8
SCHEMBL15447279 0.77 HDAC8 (0.51) APPSNCANPC1HSP90AA1HDAC8
SCHEMBL31257977 0.77 HDAC8 (0.51) APPSNCANPC1HSP90AA1HDAC8
SCHEMBL6709396 0.77 HDAC3 (0.53) APPSNCANPC1HSP90AA1HDAC8

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 9 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 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
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 APP 4445/4885CYP11B1 661/4885CYP11B2 738/4885

“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.