SCHEMBL803487

SCHEMBL803487

CC(=O)NC1CCOc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.49
▸ BRD4 O60885 2/20 0.48
▸ CREBBP Q92793 2/20 0.48
▸ MAPK1 P28482 7/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ XIAP P98170 1/20 0.45
▸ SSTR4 P31391 1/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ DRD3 P35462 1/20 0.43

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
SCHEMBL599782 1.00 TRPV1 (0.49) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL14452760 1.00 TRPV1 (0.49) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL14277888 1.00 TRPV1 (0.49) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL4226632 0.87 TRPV1 (0.54) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL4226634 0.87 TRPV1 (0.54) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL26962614 0.85 TRPV1 (0.50) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL27125516 0.85 TRPV1 (0.50) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL20622055 0.84 TRPV1 (0.49) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL31316828 0.84 TRPV1 (0.49) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL21376365 0.83 XIAP (0.53) TRPV1BRD4CREBBPMAPK1CNR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 — — WO disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US disclosed
EP-0954571-B1 BIOCATALYSTS WITH AMINE ACYLASE ACTIVITY NOVARTIS AG (CH) 2007-08-29 — — 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 TRPV1 21/4885BRD4 238/4885CREBBP 742/4885

“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.

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