SCHEMBL17316722

SCHEMBL17316722

N#CC1(c2ccc(CC(=O)O)cc2)CC(F)(F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
LMNA P02545 2/20 0.39
ABCC4 O15439 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.39
HTT P42858 1/20 0.39
RXRA P19793 5/20 0.38
RXRG P48443 5/20 0.38
RXRB P28702 4/20 0.38
FFAR4 Q5NUL3 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9351702 0.84 FFAR4 (0.46) CA2CAMK2AFFAR1AKR1B1LMNA
SCHEMBL17316454 0.80 MTNR1A (0.35) LMNAFFAR4ALDH1A1MEN1NPC1
SCHEMBL19330916 0.75 FFAR4 (0.39) CA2CAMK2AFFAR1AKR1B1LMNA
SCHEMBL19212422 0.73 MAOB (0.39) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8017729 0.72 OPRM1 (0.51)
SCHEMBL29268222 0.72 CA2 (0.50) CA2CAMK2AFFAR1AKR1B1LMNA
SCHEMBL724856 0.72 OPRM1 (0.34)
SCHEMBL17316802 0.70 OPRM1 (0.32)
SCHEMBL21874151 0.68 MAOB (0.46) CA2LMNAGAAALDH1A1HPGD
SCHEMBL17316752 0.68 CA2 (0.46) CA2CAMK2AFFAR1AKR1B1LMNA

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 7 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
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 150/4885FFAR1 1755/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CA2 160/4885CAMK2A 150/4885FFAR1 1755/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CA2 160/4885CAMK2A 150/4885FFAR1 1755/4885

“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.