SCHEMBL3594460

SCHEMBL3594460

[NH]c1ccc2c(c1)CCC(=O)N2C1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
HTR2C P28335 6/20 0.38
HTR2B P41595 6/20 0.38
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37

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
SCHEMBL3597622 0.90 HTR2C (0.38) NOTUMHTR2CHTR2BOPRM1OPRK1
SCHEMBL4713862 0.76 NOTUM (0.62) NOTUMHTR2CHTR2BOPRM1OPRK1
SCHEMBL3606099 0.75 NOTUM (0.44) NOTUMHTR2CHTR2BOPRM1OPRK1
SCHEMBL3601778 0.74 HTR2B (0.40) NOTUMHTR2CHTR2BOPRM1OPRK1
SCHEMBL7295222 0.72 ADRA2A (0.44) NOTUMOPRM1OPRK1OPRL1
SCHEMBL1238158 0.72 OPRM1 (0.62) NOTUMOPRM1OPRK1OPRL1
SCHEMBL15202950 0.71 OPRM1 (0.55) NOTUMOPRM1OPRK1OPRL1
SCHEMBL15202972 0.71 OPRM1 (0.55) NOTUMOPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL2266593 0.71 OPRM1 (0.60) NOTUMOPRM1OPRK1OPRL1
SCHEMBL4418077 0.71 OPRM1 (0.55) NOTUMOPRM1OPRK1OPRL1

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 NOTUM 2103/4885HTR2C 949/4885HTR2B 1325/4885

“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.