SCHEMBL2760460

SCHEMBL2760460

CCOc1ccccc1CCNCc1ccc2c(c1)CCN2Cc1ccc(C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
LMNA P02545 4/20 0.46
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
ALOX5 P09917 1/20 0.42
EPHX2 P34913 1/20 0.42
THRB P10828 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
SCHEMBL10064033 0.80 HDAC1 (0.54) HDAC1HDAC8HDAC6HDAC3CYP2C19
SCHEMBL219953 0.78 OPRM1 (0.61) HDAC1HDAC8HDAC6HDAC3CYP2C19
SCHEMBL221389 0.78 OPRM1 (0.61) HDAC1HDAC8HDAC6HDAC3CYP2C19
SCHEMBL221761 0.78 OPRM1 (0.64) HDAC1HDAC8HDAC6HDAC3CYP2C19
SCHEMBL220536 0.78 KDM4E (0.44) MAPTLMNAHDAC1HDAC8HDAC6
SCHEMBL15612755 0.73 HDAC1 (0.70) HDAC1HDAC8HDAC6HDAC3CYP2C19
SCHEMBL221681 0.72 OPRM1 (0.69) HDAC1HDAC8HDAC6HDAC3CYP2C19
SCHEMBL5499113 0.72 MAPT (0.53) MAPTLMNAKDM4EPOLBMEN1
SCHEMBL13987446 0.71 ACHE (0.47) MAPTHDAC1HDAC6TP53
SCHEMBL28247407 0.71 HDAC1 (0.63) HDAC1HDAC8HDAC6HDAC3CYP2C19

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-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-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 MAPT 4501/4885LMNA 3684/4885HDAC1 332/4885

“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.