SCHEMBL3301407

SCHEMBL3301407

Cc1cc(CNC(=O)CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)nn1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SLC6A9 P48067 1/20 0.52
CACNA2D1 P54289 2/20 0.52
CACNA1B Q00975 2/20 0.52
CACNB1 Q02641 2/20 0.52
CACNA1C Q13936 2/20 0.52
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
MALT1 Q9UDY8 3/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL3295714 0.94 MEN1 (0.61) MEN1KMT2ANPSR1CACNA2D1CACNA1B
SCHEMBL4246622 0.83 DRD3 (0.47) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL3307008 0.83 MEN1 (0.58) MEN1KMT2ANPSR1CACNA2D1CACNA1B
SCHEMBL3304244 0.82 MEN1 (0.57) MEN1KMT2ANPSR1LMNASMN1; SMN2
SCHEMBL3298108 0.82 MEN1 (0.54) MEN1KMT2ACA1CA2CA7
SCHEMBL26463404 0.79 RIPK1 (0.48) MEN1KMT2ALMNASMN1; SMN2CA1
SCHEMBL3301754 0.78 NPFFR1 (0.51) MEN1KMT2ACA1CA2CA7
SCHEMBL3302066 0.78 ALDH1A1 (0.63) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL3301395 0.77 GFER (0.53) MEN1KMT2ALMNASMN1; SMN2CA1
SCHEMBL3299224 0.77 MEN1 (0.43) MEN1KMT2ALMNA

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 MEN1 1934/4885KMT2A 1636/4885NPSR1 1352/4885

“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.