SCHEMBL2137879

SCHEMBL2137879

CCOC(=O)[C@@H]1C[C@H]1c1ccc2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
ALDH1A1 P00352 5/20 0.45
HTR6 P50406 4/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 3/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
PPARG P37231 1/20 0.40
MEN1 O00255 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2137878 1.00 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1ALDH1A1HTR6
SCHEMBL2138697 0.92 HTR6 (0.49) SLC1A3SLC1A2SLC1A1ALDH1A1HTR6
SCHEMBL21823899 0.86 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1HTR6KMT2A
SCHEMBL4827686 0.82 L3MBTL1 (0.45) ALDH1A1HTR6LMNAKMT2ATSHR
SCHEMBL14382259 0.82 L3MBTL1 (0.45) ALDH1A1HTR6LMNAKMT2ATSHR
SCHEMBL14002568 0.82 L3MBTL1 (0.45) ALDH1A1HTR6LMNAKMT2ATSHR
SCHEMBL2134620 0.80 SLC6A4 (0.40) ALDH1A1KDM4E
SCHEMBL2134622 0.80 SLC6A4 (0.40) ALDH1A1KDM4E
SCHEMBL2139190 0.78 ALDH1A1 (0.45) ALDH1A1HTR6LMNAKMT2ATSHR
SCHEMBL2132493 0.78 HTR6 (0.47) ALDH1A1HTR6LMNAKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435407-B1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2019-12-25 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
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 SLC1A3 222/4885SLC1A2 272/4885SLC1A1 211/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H SLC1A3 226/4885SLC1A2 276/4885SLC1A1 213/4885

“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.