SCHEMBL12005298

SCHEMBL12005298

NC1(CC(=O)N2CCC(O)(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 9/20 0.44
LMNA P02545 1/20 0.41
ACP1 P24666 1/20 0.40
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 3/20 0.37
TACR1 P25103 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.36
USP2 O75604 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
SCHEMBL12015274 0.88 LMNA (0.40) S1PR2LMNAACP1EPHX2ALDH1A1
SCHEMBL6863510 0.84 EPHX2 (0.45) LMNAACP1EPHX2
SCHEMBL6862576 0.82 EPHX2 (0.44) LMNAACP1EPHX2KMT2ATHRB
SCHEMBL6863250 0.81 EPHX2 (0.62) EPHX2
SCHEMBL6863997 0.79 EPHX2 (0.47) EPHX2
SCHEMBL12014289 0.78 MGLL (0.46) EPHX2
SCHEMBL12006216 0.76 S1PR2 (0.42) S1PR2LMNAACP1ALDH1A1
SCHEMBL12006217 0.76 S1PR2 (0.42) S1PR2LMNAACP1ALDH1A1
SCHEMBL12006515 0.76 S1PR2 (0.42) S1PR2LMNAACP1ALDH1A1
SCHEMBL6863640 0.76 S1PR2 (0.42) S1PR2LMNAACP1ALDH1A1

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 S1PR2 1046/4885LMNA 847/4885ACP1 2139/4885

“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.