SCHEMBL3307008

SCHEMBL3307008

CCCc1cc(CNC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nn1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
NPSR1 Q6W5P4 3/20 0.58
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA9 Q16790 1/20 0.50
HTT P42858 3/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.46
CACNA1G O43497 3/20 0.45
CACNA1H O95180 3/20 0.45
KCNH2 Q12809 3/20 0.45
PKM P14618 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNA1B Q00975 1/20 0.44

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
SCHEMBL3304244 0.90 MEN1 (0.57) MEN1KMT2ANPSR1LMNASMN1; SMN2
SCHEMBL3295714 0.87 MEN1 (0.61) MEN1KMT2ANPSR1LMNASMN1; SMN2
SCHEMBL3306587 0.87 GFER (0.51) MEN1KMT2ACA1CA2CA7
SCHEMBL3301407 0.83 MEN1 (0.55) MEN1KMT2ANPSR1LMNASMN1; SMN2
SCHEMBL4248682 0.82 CACNA1G (0.55) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL3300670 0.81 KMT2A (0.52) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL3295771 0.80 HTR7 (0.48) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL3300192 0.80 DRD4 (0.49) LMNAKDM4EALDH1A1GAACACNA1G
SCHEMBL3299904 0.79 ALOX5 (0.51) CA1CA2CA7CA9CACNA1G
SCHEMBL3298259 0.78 CA1 (0.54) KMT2ALMNASMN1; SMN2CA1CA2

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.