SCHEMBL17316752

SCHEMBL17316752

O=C(O)Cc1ccc(C2(F)COC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
CACNA1H O95180 10/20 0.45
CACNA1G O43497 2/20 0.45
CACNA1I Q9P0X4 2/20 0.45
AKR1B1 P15121 1/20 0.44
ABCC4 O15439 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FFAR1 O14842 1/20 0.40
PHGDH O43175 1/20 0.39
NSD2 O96028 1/20 0.39
POLB P06746 1/20 0.39
GRK2 P25098 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
SCHEMBL29268222 0.84 CA2 (0.50) CA2CAMK2AAKR1B1ABCC4LMNA
SCHEMBL17316336 0.81 CA2 (0.47) CA2CAMK2AAKR1B1ABCC4LMNA
SCHEMBL17316710 0.79 KCNH2 (0.49) CA2CAMK2ACACNA1HCACNA1GCACNA1I
SCHEMBL20768439 0.79 CA2 (0.46) CA2CAMK2AAKR1B1ABCC4LMNA
SCHEMBL17316580 0.78 GABRP (0.49) CA2CAMK2ACACNA1HAKR1B1ABCC4
SCHEMBL17316703 0.77 CACNA1H (0.42) CACNA1HCACNA1GCACNA1I
SCHEMBL17316753 0.76 CACNA1H (0.46) CA2CAMK2ACACNA1HAKR1B1ABCC4
SCHEMBL17316761 0.73 CACNA1H (0.49) CA2CAMK2ACACNA1HCACNA1GCACNA1I
SCHEMBL31558510 0.72 KCNH2 (0.42) CA2CACNA1HCACNA1GCACNA1I
SCHEMBL69614 0.72 CA2 (0.79) CA2CAMK2AAKR1B1ABCC4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN 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-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 CA2 160/4885CAMK2A 150/4885CACNA1H 4/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CA2 160/4885CAMK2A 150/4885CACNA1H 4/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CA2 160/4885CAMK2A 150/4885CACNA1H 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.