SCHEMBL17316652

SCHEMBL17316652

CC1(C)OB(c2ccc(CC(=O)Nc3ccn(Cc4ccc(F)cc4)n3)cc2)OC1(C)C

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 18/20 0.65
CACNA1G O43497 17/20 0.65
CACNA1H O95180 16/20 0.65
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53
CACNA1C Q13936 1/20 0.52
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL20003368 0.94 CACNA1I (0.59) CACNA1ICACNA1GCACNA1HNPC1TP53
SCHEMBL28127713 0.90 CACNA1G (0.58) CACNA1ICACNA1GCACNA1HNPC1TP53
SCHEMBL17316455 0.80 CACNA1I (0.73) CACNA1ICACNA1GCACNA1HNPC1TP53
SCHEMBL15416384 0.79 GAA (0.64) TSHRSMN1; SMN2
SCHEMBL17316503 0.79 CACNA1H (0.81) CACNA1ICACNA1GCACNA1HNPC1TP53
SCHEMBL17316566 0.79 CACNA1I (0.72) CACNA1ICACNA1GCACNA1HNPC1TP53
SCHEMBL17316282 0.79 CACNA1I (1.00) CACNA1ICACNA1GCACNA1HCACNA1C
SCHEMBL17316277 0.77 CACNA1I (0.69) CACNA1ICACNA1GCACNA1HNPC1TP53
SCHEMBL17316425 0.77 CACNA1I (0.69) CACNA1ICACNA1GCACNA1HNPC1TP53
SCHEMBL17316536 0.76 CACNA1G (0.68) CACNA1ICACNA1GCACNA1HNPC1TP53

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
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US 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-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-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 (3 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 CACNA1I 2/4885CACNA1G 3/4885CACNA1H 4/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CACNA1I 2/4885CACNA1G 3/4885CACNA1H 4/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CACNA1I 2/4885CACNA1G 3/4885CACNA1H 4/4885

“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.