SCHEMBL3604558

SCHEMBL3604558

CCC1(CC)CC(=CC(=O)Nc2cccc3c2CCS(=O)(=O)N3C)c2ccc(C(F)(F)F)cc2O1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.45
KCNQ2 O43526 1/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33

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
SCHEMBL3604556 1.00 TRPV1 (0.45) TRPV1KCNQ2CTSDBACE1BACE2
SCHEMBL3591983 0.93 TRPV1 (0.42) TRPV1KCNQ2
SCHEMBL3591981 0.93 TRPV1 (0.42) TRPV1KCNQ2
SCHEMBL3593809 0.92 TRPV1 (0.43) TRPV1
SCHEMBL3593812 0.92 TRPV1 (0.43) TRPV1
SCHEMBL3596949 0.92 TRPV1 (0.39) TRPV1KCNQ2CTSDBACE1BACE2
SCHEMBL3596950 0.92 TRPV1 (0.39) TRPV1KCNQ2CTSDBACE1BACE2
SCHEMBL3586913 0.91 TRPV1 (0.42) TRPV1
SCHEMBL3604570 0.91 TRPV1 (0.42) TRPV1
SCHEMBL3586908 0.91 TRPV1 (0.42) TRPV1

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 TRPV1 2518/4885KCNQ2 1706/4885CTSD 4223/4885

“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.