SCHEMBL2140203

SCHEMBL2140203

O=C(O)C1CC1c1cccc2cc[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
PDPK1 O15530 1/20 0.44
BACE1 P56817 1/20 0.39
BCHE P06276 4/20 0.39
AHR P35869 1/20 0.39
FFAR1 O14842 2/20 0.38
NR4A2 P43354 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
GRM5 P41594 1/20 0.35
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34

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
SCHEMBL10288460 1.00 KEAP1 (0.49) KEAP1PDPK1BACE1BCHEAHR
SCHEMBL2140206 1.00 KEAP1 (0.49) KEAP1PDPK1BACE1BCHEAHR
SCHEMBL10288450 0.76 TRPV1 (0.39) AHRFFAR1CYP4F2CYP4A11
SCHEMBL2135800 0.76 TRPV1 (0.39) AHRFFAR1CYP4F2CYP4A11
SCHEMBL14937110 0.74 KDM1A (0.56) FFAR1NR4A2RXRARXRBRXRG
SCHEMBL31389946 0.71 AHR (0.43) KEAP1PDPK1BACE1BCHEAHR
SCHEMBL2135897 0.71 SLC6A4 (0.53) FFAR1CYP4F2CYP4A11
SCHEMBL2135902 0.71 SLC6A4 (0.53) FFAR1CYP4F2CYP4A11
SCHEMBL27563314 0.70 KEAP1 (0.45) KEAP1PDPK1BACE1BCHEAHR
SCHEMBL7864768 0.70 AHR (0.48) KEAP1PDPK1BACE1BCHEAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed
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-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 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-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 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
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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 KEAP1 2750/4885PDPK1 3502/4885BACE1 1147/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H KEAP1 2722/4885PDPK1 3504/4885BACE1 1139/4885

“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.