SCHEMBL1674952

SCHEMBL1674952

NC(=O)C1C[C]CCN1c1ccncc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HIF1A Q16665 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
CHKA P35790 1/20 0.33
CYP2C9 P11712 4/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIM1 P11309 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SYK P43405 3/20 0.31
LSS P48449 1/20 0.30
AOC3 Q16853 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2687256 0.83 PIM1 (0.40) MAPTPIM1AOC3MAPK1
SCHEMBL2687237 0.77 CHRNB2 (0.38) LMNAPIM1HRH3SYKAOC3
SCHEMBL2888907 0.76 ALDH1A1 (0.40) HIF1ACYP2C9CYP3A4TSHRL3MBTL1
SCHEMBL6513376 0.76 PIM1 (0.43) CHKAPIM1HRH3SYK
SCHEMBL4700677 0.72 SYK (0.39) MAPTNPSR1ITGB3ITGA2BCHKA
SCHEMBL11907565 0.71 CHKA (0.36) MAPTNPSR1HIF1AITGB3ITGA2B
SCHEMBL5058266 0.67 MAOA (0.35) MAPTNPSR1ITGB3ITGA2BCHKA
SCHEMBL7918841 0.66 SMN1; SMN2 (0.50) MAPTNPSR1ITGB3ITGA2BCHKA
SCHEMBL6703929 0.66 SMN1; SMN2 (0.50) MAPTNPSR1ITGB3ITGA2BCHKA
SCHEMBL15991903 0.65 CHKA (0.36) MAPTNPSR1HIF1AITGB3ITGA2B

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP claimed
JP-4664592-B2 2011-04-06 JP claimed
US-20100010045-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-01-14 US claimed
EP-1581523-B1 PYRAZOLE-DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-09-30 EP claimed
US-20080306056-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-11 US claimed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US claimed
EP-1569927-B1 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-07-16 EP claimed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US claimed
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP claimed
EP-1479678-A1 Pyrazole-derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
US-20040204406-A1 Pyrazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-14 US claimed
US-20040171604-A1 Imidazole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-02 US claimed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP claimed
WO-2004056815-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 WO claimed
EP-1433788-A1 Pyrazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-06-30 EP claimed
WO-2004050636-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 WO claimed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US claimed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20080306056-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS F12, F5, F11 MAPT 4744/4885NPSR1 1395/4885HIF1A 3297/4885
US-20040204406-A1 Pyrazole-derivatives as factor Xa inhibitors F11, F5, F12 MAPT 4830/4885NPSR1 2730/4885HIF1A 2347/4885
US-20100010045-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS F12, F5, F11 MAPT 4827/4885NPSR1 1950/4885HIF1A 2629/4885
US-20040171604-A1 Imidazole derivatives as factor Xa inhibitors TFPI, F11, TFPI2 MAPT 3545/4885NPSR1 2722/4885HIF1A 673/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 MAPT 4711/4885NPSR1 522/4885HIF1A 2230/4885
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 MAPT 3561/4885NPSR1 211/4885HIF1A 888/4885

“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.