SCHEMBL1143597

SCHEMBL1143597

O=C(c1ccc(F)c(F)c1)C1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP2D6 P10635 1/20 0.58
HSD11B1 P28845 2/20 0.55
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
HTR1F P30939 1/20 0.42
MGLL Q99685 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

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
SCHEMBL21448795 0.89 HSD11B1 (0.60) MEN1KMT2ACYP2D6HSD11B1CES2
SCHEMBL4671166 0.85 MEN1 (0.62) MEN1KMT2ACYP2D6HSD11B1ALDH1A1
SCHEMBL27818194 0.84 HSD11B1 (0.56) HSD11B1CES2CES1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL30951271 0.84 MEN1 (0.56) MEN1KMT2ACYP2D6HSD11B1ALDH1A1
SCHEMBL14508411 0.83 HSD11B1 (0.46) MEN1KMT2ACYP2D6HSD11B1CES2
SCHEMBL228259 0.82 MEN1 (0.67) MEN1KMT2ACYP2D6HSD11B1MGLL
Hydrochloric Acid SCHEMBL5478832 0.82 HSD11B1 (0.45) MEN1KMT2ACYP2D6HSD11B1CES2
Hydrochloric Acid SCHEMBL5478835 0.82 HSD11B1 (0.45) MEN1KMT2ACYP2D6HSD11B1CES2
SCHEMBL16442371 0.82 HTT (0.56) MEN1KMT2ACYP2D6ALDH1A1LMNA
SCHEMBL16861656 0.81 ALDH1A1 (0.55) MEN1KMT2ACYP2D6HSD11B1CES2

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-8598179-B2 Pyrazole-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2013-12-03 US disclosed
EP-2238127-B1 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-15 EP disclosed
US-20110039829-A1 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-02-17 US disclosed
EP-2238127-A2 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080227-A2 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-02 WO disclosed
US-5541201-A Antiarrhythmic piperidin-1-yl-2,2-dialkylpropanone arylsulfonamide derivatives MERRELL PHARMACEUTICALS, INC. (US) 1996-07-30 US disclosed
WO-1995000481-A1 PIPERIDIN-1-YL-2,2-DIALKYLPROPANONEARYLSULFONAMIDE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1995-01-05 WO disclosed
US-5198449-A N-substituted alpha-arylazacycloalkylmethanamines and their use as cardiovascular agents A. H. ROBINS COMPANY INCORPORATED (US) 1993-03-30 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-20110039829-A1 PYRAZOLE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 MEN1 2933/4885KMT2A 2902/4885CYP2D6 1427/4885

“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.