SCHEMBL3598181

SCHEMBL3598181

COCCN(C)C1Cc2ccc(N)cc2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.47
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP3 P42574 1/20 0.33
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
HTR5A P47898 1/20 0.30
CRBN Q96SW2 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL3603350 0.91 TRPV1 (0.42) TRPV1CA9CASP3CRBN
SCHEMBL3597873 0.89 CA9 (0.40) TRPV1CA9KDM4EMEN1GAA
SCHEMBL3588367 0.86 CA9 (0.41) TRPV1CA9KDM4EMEN1GAA
SCHEMBL3600214 0.86 TRPV1 (0.47) TRPV1CASP3MAOAMAOBDRD2
SCHEMBL3602382 0.85 TRPV1 (0.45) TRPV1CA9KDM4EMEN1GAA
SCHEMBL13383402 0.84 TRPV1 (0.54) TRPV1MEN1KMT2ACASP3MAOA
SCHEMBL3595896 0.81 CA9 (0.47) TRPV1CA9KDM4EMEN1GAA
SCHEMBL3603349 0.79 TRPV1 (0.42) TRPV1CASP3
SCHEMBL3590237 0.77 CA9 (0.44) CA9KDM4EMEN1GAAMAPT
SCHEMBL3600259 0.77 CA9 (0.33) TRPV1CA9KDM4EMEN1GAA

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-8969325-B2 TRPV1 antagonists ABBVIE INC. (US) 2015-03-03 US disclosed
US-8802711-B2 TRPV1 antagonists ABBVIE INC. (US) 2014-08-12 US disclosed
EP-2688866-A1 TRPV1 ANTAGONISTS AbbVie Inc. (US) 2014-01-29 EP disclosed
US-20130172334-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-07-04 US disclosed
WO-2013096226-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-06-27 WO disclosed
WO-2012134943-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2012-10-04 WO disclosed
US-20120245163-A1 TRPV1 Antagonists ABBOTT LABORATORIES (US) 2012-09-27 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
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 (3 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 TRPV1 2518/4885CA9 1531/4885KDM4E 2284/4885
US-20130172334-A1 TRPV1 ANTAGONISTS TRPV1, MRGPRX1, MRGPRX4 TRPV1 1/4885CA9 1695/4885KDM4E 3731/4885
US-20120245163-A1 TRPV1 Antagonists TRPV1, TRPV3, TRPV6 TRPV1 1/4885CA9 2015/4885KDM4E 2692/4885

“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.