SCHEMBL3300459

SCHEMBL3300459

Cc1cc(CNC(=O)CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.59
FAAH O00519 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
ACHE P22303 1/20 0.48
MAPT P10636 1/20 0.47
NPY5R Q15761 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
GFER P55789 1/20 0.44
TSHR P16473 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GLS O94925 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
SCHEMBL3298599 0.91 POLB (0.52) POLBFAAHSIGMAR1ACHEKDM4E
SCHEMBL3301798 0.89 POLB (0.57) POLBFAAHSIGMAR1ACHEMAPT
SCHEMBL3301665 0.88 KCNH2 (0.59) POLBFAAHSIGMAR1ACHEMAPT
SCHEMBL3304029 0.85 ALOX5 (0.55) POLBALDH1A1MEN1LMNAKMT2A
SCHEMBL3301754 0.83 NPFFR1 (0.51) FAAHSIGMAR1MEN1KMT2A
SCHEMBL3298108 0.81 MEN1 (0.54) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL26463404 0.80 RIPK1 (0.48) POLBALDH1A1MEN1LMNAKMT2A
SCHEMBL3299904 0.80 ALOX5 (0.51) POLBFAAHSIGMAR1ACHEPKM
SCHEMBL3299224 0.80 MEN1 (0.43) POLBMAPTMEN1LMNAKMT2A
SCHEMBL3306793 0.79 KCNH2 (0.61) POLBACHEL3MBTL1

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 POLB 4842/4885FAAH 3646/4885SIGMAR1 2020/4885

“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.