SCHEMBL3601778

SCHEMBL3601778

[NH]c1cccc2c1N(C1CCNC1)C(=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 10/20 0.40
HTR2C P28335 9/20 0.40
PARP1 P09874 4/20 0.39
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
HTR2A P28223 4/20 0.35
NOTUM Q6P988 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL3606099 0.80 NOTUM (0.44) HTR2BHTR2CPARP1HTR3EHTR3B
SCHEMBL3594460 0.74 NOTUM (0.40) HTR2BHTR2CNOTUMOPRM1OPRK1
SCHEMBL3597622 0.74 HTR2C (0.38) HTR2BHTR2CNOTUMOPRM1OPRK1
SCHEMBL1238158 0.69 OPRM1 (0.62) NOTUMOPRM1OPRK1OPRL1
SCHEMBL15202972 0.68 OPRM1 (0.55) NOTUMOPRM1OPRK1OPRL1
SCHEMBL4418077 0.68 OPRM1 (0.55) NOTUMOPRM1OPRK1OPRL1
SCHEMBL15202950 0.68 OPRM1 (0.55) NOTUMOPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL2266593 0.68 OPRM1 (0.60) NOTUMOPRM1OPRK1OPRL1
SCHEMBL3588020 0.67 SRD5A1 (0.45) NOTUM
SCHEMBL7288955 0.66 OPRM1 (0.45) HTR2BHTR2CNOTUMOPRM1OPRK1

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 HTR2B 1325/4885HTR2C 949/4885PARP1 1468/4885

“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.