SCHEMBL3304029

SCHEMBL3304029

Cc1cc(CNC(=O)CN2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)nn1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.55
PTGS1 P23219 2/20 0.55
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
KCNH2 Q12809 1/20 0.44
POLB P06746 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL3298599 0.92 POLB (0.52) ALOX5PTGS1ALDH1A1CA1CA2
SCHEMBL3301754 0.87 NPFFR1 (0.51) CA1CA2CA7CA9MEN1
SCHEMBL3299252 0.87 KCNH2 (0.61) ALOX5PTGS1ALDH1A1LMNACA1
SCHEMBL3300459 0.85 POLB (0.59) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL26463404 0.84 RIPK1 (0.48) ALDH1A1LMNACA1CA2CA7
SCHEMBL3298108 0.83 MEN1 (0.54) ALDH1A1CA1CA2CA7CA9
SCHEMBL3299224 0.82 MEN1 (0.43) LMNAMEN1KMT2ACACNA1GCACNA1H
SCHEMBL3299904 0.80 ALOX5 (0.51) ALOX5PTGS1CA1CA2CA7
SCHEMBL3306793 0.79 KCNH2 (0.61) ALOX5CACNA1GCACNA1HKCNH2POLB
SCHEMBL3302066 0.79 ALDH1A1 (0.63) ALDH1A1CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US claimed
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 claimed
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 (1 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-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 ALOX5 1647/4885PTGS1 1000/4885ALDH1A1 4048/4885

“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.