SCHEMBL2959006

SCHEMBL2959006

CC(=O)OCc1ccc(C)c(C#N)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 5/20 0.35
HSD17B10 Q99714 3/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
FASN P49327 1/20 0.32
HPGD P15428 2/20 0.32
NOTUM Q6P988 1/20 0.32
MAPT P10636 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL930960 0.79 KDM4E (0.40) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL2959300 0.76 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C19KDM4EHSD17B10
SCHEMBL19212055 0.76 MBOAT4 (0.40) ALDH1A1CYP1A2CYP2C19KDM4EHSD17B10
SCHEMBL929492 0.75 CCR1 (0.42) ALDH1A1KMT2AMEN1NOTUMMAPT
SCHEMBL928875 0.75 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL4697306 0.75 KDM4E (0.35) ALDH1A1CYP1A2CYP2C19KDM4EHSD17B10
SCHEMBL9298287 0.74 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C19KDM4EHSD17B10
SCHEMBL16847937 0.73 AR (0.36) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL929809 0.72 HTR2A (0.42) ALDH1A1KDM4EHSD17B10FASNHPGD
SCHEMBL2672535 0.71 CYP1A2 (0.35) ALDH1A1CYP1A2CYP2C19KDM4EHSD17B10

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 13 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
US-7759369-B2 Pyridine compounds for the treatment of prostaglandin mediated diseases GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-20100137378-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
EP-2053042-A1 Pyridine compounds for the treatment of prostaglandin mediated diseases Glaxo Group Limited (GB) 2009-04-29 EP disclosed
EP-1833795-B1 PYRIDINE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LTD (GB) 2009-03-04 EP disclosed
US-20080249138-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases MARTIN PAUL GIBLIN GERARD 2008-10-09 US disclosed
EP-1833795-A1 PYRIDINE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2007-09-19 EP disclosed
WO-2006066968-A1 PYRIDINE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2006-06-29 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 (5 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 ALDH1A1 3435/4885CYP1A2 507/4885CYP2C19 400/4885
US-20100137378-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases PTGER1, PTGDR, PTGER2 ALDH1A1 2043/4885CYP1A2 241/4885CYP2C19 92/4885
US-20080249138-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases PTGER1, PTGDR, PTGER4 ALDH1A1 1882/4885CYP1A2 140/4885CYP2C19 60/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G ALDH1A1 3435/4885CYP1A2 507/4885CYP2C19 400/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G ALDH1A1 3435/4885CYP1A2 507/4885CYP2C19 400/4885

“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.