SCHEMBL12005602

SCHEMBL12005602

CN1CCCC(C(=O)N2CCC(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RHOA P61586 15/20 0.45
RHOC P08134 3/20 0.45
CXCR3 P49682 2/20 0.45
EPHX2 P34913 1/20 0.44
CNR1 P21554 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL1444264 0.95 EPHX2 (0.49) RHOARHOCCXCR3EPHX2CNR1
SCHEMBL12006206 0.94 RHOA (0.44) RHOARHOCCXCR3EPHX2CNR1
SCHEMBL12004594 0.83 CXCR3 (0.44) RHOARHOCCXCR3EPHX2USP30
SCHEMBL6863162 0.80 CXCR3 (0.42) RHOARHOCCXCR3EPHX2USP30
SCHEMBL6864138 0.80 RHOC (0.43) RHOARHOCCXCR3EPHX2USP30
SCHEMBL6863915 0.80 RHOC (0.43) RHOARHOCCXCR3EPHX2USP30
SCHEMBL6863467 0.80 RHOC (0.43) RHOARHOCCXCR3EPHX2USP30
SCHEMBL12005749 0.80 RHOC (0.43) RHOARHOCCXCR3EPHX2USP30
SCHEMBL22019439 0.79 CXCR3 (0.46) RHOARHOCCXCR3EPHX2
SCHEMBL6863832 0.79 CXCR3 (0.42) RHOARHOCCXCR3EPHX2USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
US-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
US-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 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 (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-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS CACNA1G, CACNA1I, CACNA1H RHOA 1738/4885RHOC 1928/4885CXCR3 2678/4885

“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.