SCHEMBL12014282

SCHEMBL12014282

N[C@@H]1CCCC[C@@H]1C(=O)N1CCC(O)(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 7/20 0.42
CACNA1G O43497 4/20 0.39
CACNA1H O95180 4/20 0.39
RHOC P08134 2/20 0.39
RHOA P61586 2/20 0.39
CACNA1B Q00975 1/20 0.39
LMNA P02545 1/20 0.39
ACP1 P24666 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL12006515 1.00 S1PR2 (0.42) S1PR2CACNA1GCACNA1HRHOCRHOA
SCHEMBL12006216 1.00 S1PR2 (0.42) S1PR2CACNA1GCACNA1HRHOCRHOA
SCHEMBL6863640 1.00 S1PR2 (0.42) S1PR2CACNA1GCACNA1HRHOCRHOA
SCHEMBL12006217 1.00 S1PR2 (0.42) S1PR2CACNA1GCACNA1HRHOCRHOA
SCHEMBL12015287 0.89 CACNA1G (0.38) S1PR2CACNA1GCACNA1HRHOCRHOA
SCHEMBL12004714 0.85 EPHX2 (0.46) CACNA1GCACNA1HRHOCRHOACACNA1B
SCHEMBL6863439 0.85 EPHX2 (0.46) CACNA1GCACNA1HRHOCRHOACACNA1B
SCHEMBL6863102 0.85 EPHX2 (0.46) CACNA1GCACNA1HRHOCRHOACACNA1B
SCHEMBL6863390 0.85 EPHX2 (0.46) CACNA1GCACNA1HRHOCRHOACACNA1B
SCHEMBL6863159 0.85 EPHX2 (0.46) CACNA1GCACNA1HRHOCRHOACACNA1B

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-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 S1PR2 1046/4885CACNA1G 1/4885CACNA1H 3/4885

“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.