SCHEMBL17316596

SCHEMBL17316596

CCn1ncc2cc(CC(=O)O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
CACNA1H O95180 11/20 0.52
MAPT P10636 1/20 0.49
KMO O15229 2/20 0.48
NR1H2 P55055 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
NR1H3 Q13133 1/20 0.45
PTGS1 P23219 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL18691035 0.89 CACNA1H (0.53) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL18691059 0.86 CACNA1H (0.55) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL29430357 0.82 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL17316492 0.82 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL904726 0.81 SLC5A2 (0.46) CACNA1HKMOTRPM8
SCHEMBL13634568 0.81 CACNA1H (0.44) ALDH1A1HPGDTSHRCACNA1HMAPT
SCHEMBL3438334 0.79 HCAR3 (0.56) KDM4EALDH1A1HPGDMAPTKMO
SCHEMBL904745 0.78 HTR2A (0.43) CACNA1HKMOTRPM8
SCHEMBL20421223 0.78 CACNA1H (0.53) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL6739781 0.77 KMO (0.56) KDM4EALDH1A1HPGDHSD17B10TSHR

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-10246426-B2 Triazole compounds as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-02 US disclosed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US disclosed
EP-3194374-B1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-08-01 EP disclosed
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-19 US disclosed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 US disclosed
EP-3194374-A1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS Idorsia Pharmaceuticals Ltd (CH) 2017-07-26 EP disclosed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 EP disclosed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 US disclosed
WO-2016041892-A1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-24 WO disclosed
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 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 (4 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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G KDM4E 3649/4885ALDH1A1 3435/4885HPGD 1678/4885
US-10246426-B2 Triazole compounds as T-type calcium channel blockers CACNA1I, CACNA1E, CACNA1G KDM4E 3001/4885ALDH1A1 3606/4885HPGD 2322/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G KDM4E 3649/4885ALDH1A1 3435/4885HPGD 1678/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G KDM4E 3649/4885ALDH1A1 3435/4885HPGD 1678/4885

“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.