SCHEMBL2139451

SCHEMBL2139451

COc1ccc(C(C)NC(=O)COc2ccc(C(C)(C)C)cc2)nc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 2/20 0.79
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
TRPV1 Q8NER1 3/20 0.47
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
CNR2 P34972 1/20 0.46
KCNH2 Q12809 1/20 0.46
GAA P10253 2/20 0.45
POLB P06746 2/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK1 P28482 3/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL2139443 1.00 CACNA1I (0.79) CACNA1IALDH1A1LMNAMEN1KMT2A
SCHEMBL27772081 0.88 CACNA1I (1.00) CACNA1IALDH1A1LMNAMEN1KMT2A
SCHEMBL1062763 0.88 CACNA1I (1.00) CACNA1IALDH1A1LMNAMEN1KMT2A
SCHEMBL2134726 0.84 CACNA1I (0.73) CACNA1IALDH1A1LMNAMEN1KMT2A
SCHEMBL2134729 0.84 CACNA1I (0.73) CACNA1IALDH1A1LMNAMEN1KMT2A
SCHEMBL21920417 0.84 CACNA1I (0.65) CACNA1IALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL2143533 0.82 CACNA1I (0.61) CACNA1IALDH1A1LMNAMEN1KMT2A
SCHEMBL2143523 0.82 CACNA1I (0.61) CACNA1IALDH1A1LMNAMEN1KMT2A
SCHEMBL2138260 0.81 CACNA1I (0.56) CACNA1IALDH1A1LMNAMEN1KMT2A
SCHEMBL2138271 0.81 CACNA1I (0.56) CACNA1IALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102448937-A Aryl Substituted Carboxamide Derivatives As Calcium Or Sodium Channel Blockers RAQUALIA PHARMA INC 2012-05-09 CN claimed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US claimed
WO-2010137351-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2010-12-02 WO claimed
EP-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed
EP-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
CN-102448937-A Aryl Substituted Carboxamide Derivatives As Calcium Or Sodium Channel Blockers RAQUALIA PHARMA INC 2012-05-09 CN disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
WO-2010137351-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2010-12-02 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 (2 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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H CACNA1I 1/4885ALDH1A1 2895/4885LMNA 1268/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H CACNA1I 1/4885ALDH1A1 2882/4885LMNA 1264/4885

“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.