SCHEMBL3301754

SCHEMBL3301754

Cc1cc(CNC(=O)CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)nn1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 4/20 0.51
NPFFR2 Q9Y5X5 4/20 0.51
P2RX7 Q99572 1/20 0.51
SIGMAR1 Q99720 4/20 0.47
FAAH O00519 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
HTT P42858 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
CACNA1G O43497 2/20 0.44
CACNA1H O95180 1/20 0.44
KCNH2 Q12809 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3304029 0.87 ALOX5 (0.55) CA1CA2CA7CA9DRD2
SCHEMBL3306921 0.87 KCNH2 (0.61) NPFFR1NPFFR2P2RX7SIGMAR1FAAH
SCHEMBL3298599 0.86 POLB (0.52) P2RX7SIGMAR1FAAHCA1CA2
SCHEMBL3301621 0.84 CACNA1G (0.52) NPFFR1NPFFR2P2RX7SIGMAR1FAAH
SCHEMBL3298108 0.83 MEN1 (0.54) CA1CA2CA7CA9MEN1
SCHEMBL3300459 0.83 POLB (0.59) SIGMAR1FAAHMEN1KMT2A
SCHEMBL3299224 0.82 MEN1 (0.43) P2RX7CACNA1GCACNA1HKCNH2MEN1
SCHEMBL26463404 0.81 RIPK1 (0.48) CA1CA2CA7CA9HTT
SCHEMBL3295714 0.79 MEN1 (0.61) CA1CA2CA7CA9HTT
SCHEMBL3302066 0.79 ALDH1A1 (0.63) CA1CA2CA7CA9HTT

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 NPFFR1 1177/4885NPFFR2 941/4885P2RX7 130/4885

“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.