SCHEMBL216700

SCHEMBL216700

C[C](C)Sc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
NPC1 O15118 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 3/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL9799523 0.80 MAPT (0.55) MAPTNPC1HTTRAB9ANPSR1
SCHEMBL1157660 0.80 MAPT (0.55) MAPTNPC1HTTRAB9ANPSR1
SCHEMBL9542565 0.74 MAPT (1.00) MAPTNPC1HTTRAB9ANPSR1
SCHEMBL4828988 0.73 MAPT (0.49) MAPTNPC1HTTRAB9ANPSR1
SCHEMBL1454790 0.72 HPGD (0.45) MAPTHTTNPSR1LMNAHSD17B10
SCHEMBL29267417 0.72 MAPT (0.51) MAPTNPC1HTTRAB9ANPSR1
SCHEMBL7167399 0.72 MAPT (0.70) MAPTNPC1HTTRAB9ANPSR1
SCHEMBL1462546 0.72 MAPT (0.56) MAPTNPC1HTTRAB9ANPSR1
SCHEMBL10450873 0.72 MAPT (0.50) MAPTNPC1HTTRAB9ANPSR1
SCHEMBL11662147 0.70 MAPT (0.53) MAPTNPC1HTTRAB9ANPSR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US claimed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 US claimed
EP-2108012-A2 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-10-14 EP claimed
WO-2008099076-A2 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-21 WO claimed
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US disclosed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 US disclosed
EP-2108012-A2 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-10-14 EP disclosed
WO-2008099076-A2 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-21 WO 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-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT3, PRMT5, PRMT1 MAPT 3121/4885NPC1 467/4885HTT 2106/4885

“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.