SCHEMBL218188

SCHEMBL218188

CC(C)CCNCc1ccc2c(ccn2Cc2ccc(C(N)=O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.49
PLAU P00749 2/20 0.49
HDAC6 Q9UBN7 11/20 0.47
HDAC8 Q9BY41 9/20 0.47
HDAC11 Q96DB2 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
HDAC1 Q13547 9/20 0.46
HDAC2 Q92769 9/20 0.46
HDAC3 O15379 8/20 0.46
HDAC10 Q969S8 5/20 0.45
EPHX2 P34913 3/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
ALOX5 P09917 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
SCHEMBL220038 0.94 PLAU (0.52) PLGPLAUHDAC6HDAC8HDAC11
SCHEMBL220311 0.88 PLAU (0.52) PLGPLAUHDAC6HDAC8HDAC11
SCHEMBL220832 0.86 PLG (0.48) PLGPLAUHDAC6HDAC8HDAC11
SCHEMBL221760 0.85 PLA2G4A (0.49) PLGPLAUHDAC6HDAC8HDAC11
SCHEMBL219825 0.84 PLG (0.48) PLGPLAUHDAC6HDAC8HDAC11
SCHEMBL219690 0.83 HDAC6 (0.60) PLGPLAUHDAC6HDAC8HDAC11
SCHEMBL218880 0.82 OPRM1 (0.48) PLGPLAUHDAC6HDAC8HDAC11
SCHEMBL3883149 0.82 HDAC6 (0.47) PLGPLAUHDAC6HDAC8HDAC11
SCHEMBL222138 0.80 OPRM1 (0.50) PLGPLAUHDAC6HDAC8HDAC11
SCHEMBL221602 0.80 EPHX2 (0.51) HDAC6HDAC8OPRM1OPRD1OPRK1

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 11 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

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 PLG 4114/4885PLAU 4230/4885HDAC6 667/4885

“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.