SCHEMBL1807672

SCHEMBL1807672

CS(=O)(=O)c1ccccc1C(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.65
NR1I2 O75469 5/20 0.55
CYP3A4 P08684 3/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
EPHX2 P34913 1/20 0.53
TP53 P04637 1/20 0.52
SLC9A1 P19634 1/20 0.51
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
CNR1 P21554 1/20 0.47

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
SCHEMBL1808170 0.90 CACNA1B (0.53) CACNA1BNR1I2CYP3A4MEN1KMT2A
SCHEMBL1811982 0.89 CACNA1B (0.59) CACNA1BNR1I2CYP3A4MEN1KMT2A
SCHEMBL1808340 0.88 CACNA1B (0.56) CACNA1BNR1I2CYP3A4SLC9A1MMP2
SCHEMBL1810833 0.87 CACNA1B (0.52) CACNA1BNR1I2CYP3A4KMT2AEPHX2
SCHEMBL1810350 0.83 LMNA (0.47) CACNA1BKMT2AEPHX2SLC9A1
SCHEMBL1806845 0.82 HRH1 (0.62) CACNA1BNR1I2CYP3A4MEN1KMT2A
SCHEMBL3040920 0.80 CACNA1B (0.68) CACNA1BNR1I2CYP3A4
SCHEMBL1809076 0.79 MMP13 (0.49) CACNA1BMEN1KMT2AEPHX2SLC9A1
SCHEMBL1805986 0.78 MMP2 (0.48) CACNA1BKMT2AMMP2MMP13
SCHEMBL9903075 0.78 EPHX2 (0.65) MEN1KMT2AEPHX2TP53CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B CACNA1B 17/4885NR1I2 451/4885CYP3A4 1431/4885

“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.