SCHEMBL15844281

SCHEMBL15844281

CN1CCCC1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.47
P2RX7 Q99572 2/20 0.47
TACR1 P25103 4/20 0.46
MLYCD O95822 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
KDM4E B2RXH2 1/20 0.44
AADAT Q8N5Z0 1/20 0.44

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
SCHEMBL15844423 1.00 CCR2 (0.47) CCR2P2RX7TACR1MLYCDCYP3A4
SCHEMBL15844280 1.00 CCR2 (0.47) CCR2P2RX7TACR1MLYCDCYP3A4
SCHEMBL17048548 0.86 P2RX7 (0.50) P2RX7TACR1CYP3A4KDM4EAADAT
SCHEMBL18885617 0.82 P2RX7 (0.49) P2RX7TACR1KDM4EAADAT
SCHEMBL5348577 0.82 CCR2 (0.51) CCR2
SCHEMBL20812140 0.81 P2RX7 (0.50) P2RX7CYP3A4AADAT
SCHEMBL20094189 0.81 CYP2D6 (0.48) TACR1CYP3A4CYP2D6
SCHEMBL20094218 0.81 CYP2D6 (0.48) TACR1CYP3A4CYP2D6
SCHEMBL18882736 0.80 P2RX7 (0.47) P2RX7TACR1CYP3A4CYP2D6KDM4E
SCHEMBL17048591 0.80 TACR1 (0.49) CCR2TACR1CYP3A4AADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2017-09-14 US disclosed
US-9688615-B2 Benzimidazole inhibitors of the sodium channel DEGIACOMO, INTERIM TRUSTEE, MARK G. (US) 2017-06-27 US disclosed
EP-3009427-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals Ltd. (CA) 2016-04-20 EP disclosed
US-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2015-12-17 US disclosed
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL ZALICUS PHARMACEUTICALS LTD. (CA) 2014-07-03 US 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-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL SCN1A, KCNJ11, KCNJ1 CCR2 3909/4885P2RX7 309/4885TACR1 1486/4885
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 CCR2 3909/4885P2RX7 309/4885TACR1 1486/4885
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL SCN1A, KCNJ11, KCNJ1 CCR2 3966/4885P2RX7 308/4885TACR1 1455/4885

“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.