SCHEMBL3300740

SCHEMBL3300740

CC(C)Cc1cc(CN)nn1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.60
CACNA1G O43497 9/20 0.60
CACNA1H O95180 9/20 0.60
HTR6 P50406 8/20 0.54
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAOA P21397 1/20 0.37
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL17259240 0.85 KCNH2 (0.49) KCNH2CACNA1GCACNA1HHTR6CYP1A2
SCHEMBL17259259 0.85 KCNH2 (0.60) KCNH2CACNA1GCACNA1HHTR6ALDH1A1
SCHEMBL17259261 0.85 KCNH2 (0.60) KCNH2CACNA1GCACNA1HHTR6ALDH1A1
SCHEMBL17259227 0.82 KCNH2 (0.67) KCNH2CACNA1GCACNA1HHTR6
SCHEMBL13423350 0.79 KCNH2 (0.53) KCNH2CACNA1GCACNA1HHTR6ALDH1A1
SCHEMBL23402955 0.78 KCNH2 (0.52) KCNH2CACNA1GCACNA1HHTR6ALDH1A1
SCHEMBL17259273 0.78 KCNH2 (0.53) KCNH2CACNA1GCACNA1HHTR6
SCHEMBL16808042 0.77 KCNH2 (0.52) KCNH2CACNA1GCACNA1HHTR6
SCHEMBL3300449 0.76 MAPK1 (0.47) CYP1A2MAPK1CYP2C19MAOANOTUM
SCHEMBL3227528 0.75 KCNH2 (0.53) KCNH2CACNA1GCACNA1HHTR6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250213558-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING A PIPERAZINE OR 1,4-DIAZEPANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. 2025-07-03 US disclosed
CN-119278038-A T-type calcium channel modulators comprising piperazine or 1, 4-diazacycloheptane cores and methods of use thereof 普拉西斯精密医药公司 2025-01-07 CN disclosed
WO-2023192669-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING A PIPERAZINE OR 1,4-DIAZEPANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed
WO-2023192669-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING A PIPERAZINE OR 1,4-DIAZEPANE CORE AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 WO disclosed
US-9493423-B2 Compounds capable of inhibiting voltage gated calcium ion channel, and pharmaceutical compositions comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-11-15 US disclosed
US-20150329533-A1 COMPOUNDS CAPABLE OF INHIBITING VOLTAGE GATED CALCIUM ION CHANNEL, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-11-19 US disclosed
US-8895602-B1 6-pyrazolylamido-3-substituted azabicyclo[3.1.0]hexane compounds as calcium channel inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-11-25 US disclosed
US-8895602-B1 6-pyrazolylamido-3-substituted azabicyclo[3.1.0]hexane compounds as calcium channel inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-11-25 US disclosed
US-8895602-B1 6-pyrazolylamido-3-substituted azabicyclo[3.1.0]hexane compounds as calcium channel inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-11-25 US disclosed
US-20140343295-A1 NOVEL 6-PYRAZOLYLAMIDO-3-SUBSTITUTED AZABICYCLO[3.1.0]HEXANE COMPOUNDS AS CALCIUM CHANNEL INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-11-20 US disclosed
US-20140343295-A1 NOVEL 6-PYRAZOLYLAMIDO-3-SUBSTITUTED AZABICYCLO[3.1.0]HEXANE COMPOUNDS AS CALCIUM CHANNEL INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-11-20 US disclosed
US-20140343295-A1 NOVEL 6-PYRAZOLYLAMIDO-3-SUBSTITUTED AZABICYCLO[3.1.0]HEXANE COMPOUNDS AS CALCIUM CHANNEL INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-11-20 US disclosed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US 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 (4 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-20250213558-A1 T-TYPE CALCIUM CHANNEL MODULATORS COMPRISING A PIPERAZINE OR 1,4-DIAZEPANE CORE AND METHODS OF USE THEREOF CACNA1G, CACNA1I, CACNA1H KCNH2 57/4885CACNA1G 1/4885CACNA1H 3/4885
US-20150329533-A1 COMPOUNDS CAPABLE OF INHIBITING VOLTAGE GATED CALCIUM ION CHANNEL, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CACNA1B, CACNA1F, CACNA1G KCNH2 33/4885CACNA1G 3/4885CACNA1H 9/4885
US-20140343295-A1 NOVEL 6-PYRAZOLYLAMIDO-3-SUBSTITUTED AZABICYCLO[3.1.0]HEXANE COMPOUNDS AS CALCIUM CHANNEL INHIBITORS CACNA1B, CACNA1I, CACNA1D KCNH2 67/4885CACNA1G 5/4885CACNA1H 8/4885
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 KCNH2 69/4885CACNA1G 7/4885CACNA1H 11/4885

“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.