SCHEMBL17316624

SCHEMBL17316624

O=C(Cl)Cc1ccc(C2CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 5/20 0.45
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ESR2 Q92731 3/20 0.40
CYP2C9 P11712 2/20 0.40
ESR1 P03372 1/20 0.40
CYP3A4 P08684 1/20 0.40
RORC P51449 1/20 0.40
MAPT P10636 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
KDM1A O60341 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
SCHEMBL10733328 0.86 CYP2C9 (0.61) PANK3LMNAESR2CYP2C9ESR1
SCHEMBL10500796 0.86 CYP2C9 (0.61) PANK3LMNAESR2CYP2C9ESR1
SCHEMBL925698 0.82 CA2 (0.54) PANK3LMNANPC1RAB9AMAPT
SCHEMBL4573389 0.80 POLB (0.46) PANK3LMNANPC1RAB9AESR2
SCHEMBL31480957 0.80 CA2 (0.55) PANK3CYP2C9
SCHEMBL4194796 0.80 CA2 (0.46) LMNANPC1RAB9A
SCHEMBL1088632 0.78 PANK3 (0.41) PANK3NPC1RAB9AMAPTKDM4C
SCHEMBL925686 0.76 CYP4F2 (0.56) LMNANPC1RAB9ARORCMAPT
SCHEMBL26089356 0.74 CA2 (0.50) LMNARORC
SCHEMBL28455325 0.73 LMNA (0.54) LMNA

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 PANK3 2675/4885LMNA 1368/4885NPC1 2144/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G PANK3 2675/4885LMNA 1368/4885NPC1 2144/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G PANK3 2675/4885LMNA 1368/4885NPC1 2144/4885

“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.