SCHEMBL3300596

SCHEMBL3300596

CC(C)Cc1cc(C=O)nn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.52
CACNA1H O95180 10/20 0.52
CACNA1G O43497 9/20 0.52
HTR6 P50406 7/20 0.47
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
LMNA P02545 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
SCHEMBL17259263 0.86 HTR6 (0.44) KCNH2CACNA1HCACNA1GHTR6ALDH1A1
SCHEMBL4254538 0.82 ALDH1A1 (0.41) ALDH1A1GAAKDM4CLMNA
SCHEMBL16249227 0.82 KCNH2 (0.46) KCNH2CACNA1HCACNA1GHTR6GAA
SCHEMBL17259258 0.82 KCNH2 (0.46) KCNH2CACNA1HCACNA1GHTR6GAA
SCHEMBL23402955 0.77 KCNH2 (0.52) KCNH2CACNA1HCACNA1GHTR6ALDH1A1
SCHEMBL16241332 0.77 ALDH1A1 (0.55) KCNH2CACNA1HCACNA1GHTR6ALDH1A1
SCHEMBL4704374 0.75 TSHR (0.44) CACNA1GALDH1A1GAAKDM4CLMNA
SCHEMBL17259261 0.75 KCNH2 (0.60) KCNH2CACNA1HCACNA1GHTR6ALDH1A1
SCHEMBL3300740 0.75 KCNH2 (0.60) KCNH2CACNA1HCACNA1GHTR6ALDH1A1
SCHEMBL17259259 0.75 KCNH2 (0.60) KCNH2CACNA1HCACNA1GHTR6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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
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
EP-1757590-B1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INST SCI & TECH (KR) 2009-12-02 EP disclosed
US-7544686-B2 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-06-09 US disclosed
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-03-01 US disclosed
EP-1757590-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof Korea Institute of Science and Technology (KR) 2007-02-28 EP 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-20150329533-A1 COMPOUNDS CAPABLE OF INHIBITING VOLTAGE GATED CALCIUM ION CHANNEL, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CACNA1B, CACNA1F, CACNA1G KCNH2 33/4885CACNA1H 9/4885CACNA1G 3/4885
US-20140343295-A1 NOVEL 6-PYRAZOLYLAMIDO-3-SUBSTITUTED AZABICYCLO[3.1.0]HEXANE COMPOUNDS AS CALCIUM CHANNEL INHIBITORS CACNA1B, CACNA1I, CACNA1D KCNH2 67/4885CACNA1H 8/4885CACNA1G 5/4885
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof CACNA1I, CACNA1G, CACNA1H KCNH2 31/4885CACNA1H 3/4885CACNA1G 2/4885
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 KCNH2 69/4885CACNA1H 11/4885CACNA1G 7/4885

“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.