SCHEMBL3301907

SCHEMBL3301907

Cc1ccc(N2CCN(CC(=O)NCc3cc(-c4ccc(C=S)cc4)n(-c4ccccc4)n3)CC2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.44
MALT1 Q9UDY8 9/20 0.43
ALOX5 P09917 3/20 0.41
PTGS1 P23219 2/20 0.41
GFER P55789 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3301751 0.90 KMT2A (0.47) HTR7MALT1GFERLMNAMAPT
SCHEMBL3299335 0.89 MALT1 (0.50) MALT1GFERALDH1A1
SCHEMBL3298079 0.88 CCKAR (0.51) HTR7ALOX5PTGS1GFER
SCHEMBL3304005 0.86 HTR7 (0.51) HTR7GFERKDM4EALDH1A1LMNA
SCHEMBL3299906 0.85 MALT1 (0.53) MALT1ALOX5PTGS1GFER
SCHEMBL3295706 0.84 MALT1 (0.46) MALT1GFER
SCHEMBL3295771 0.81 HTR7 (0.48) HTR7GFERKDM4EALDH1A1LMNA
SCHEMBL3300644 0.78 MEN1 (0.64) GFERALDH1A1
SCHEMBL3299377 0.77 MALT1 (0.55) MALT1GFER
SCHEMBL4246030 0.76 CACNA1G (0.55) HTR7

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 HTR7 417/4885MALT1 4402/4885ALOX5 1647/4885

“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.