SCHEMBL4701611

SCHEMBL4701611

NC1CCN(C(=O)Cc2ccncc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.53
FNTB P49356 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
CYP19A1 P11511 3/20 0.48
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
IDO1 P14902 1/20 0.45
CYP2B6 P20813 1/20 0.45
NAMPT P43490 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TACR3 P29371 1/20 0.44
POLB P06746 1/20 0.44
GRM5 P41594 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CACNA1B Q00975 1/20 0.44

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
SCHEMBL4703997 0.84 FNTA (0.53) FNTAFNTBL3MBTL1CYP19A1ALDH1A1
SCHEMBL13621145 0.84 CYP19A1 (0.55) FNTAFNTBL3MBTL1CYP19A1ALDH1A1
SCHEMBL4139971 0.84 L3MBTL1 (0.71) L3MBTL1ALDH1A1KDM4ETACR3POLB
SCHEMBL4705648 0.82 FNTA (0.49) FNTAFNTBL3MBTL1ALDH1A1LMNA
SCHEMBL4703644 0.82 GRIN2B (0.50) FNTAFNTBL3MBTL1ALDH1A1LMNA
SCHEMBL22493291 0.82 FNTA (0.58) FNTAFNTBL3MBTL1ALDH1A1CYP1A2
SCHEMBL14115762 0.81 POLB (0.61) L3MBTL1ALDH1A1CYP3A4POLBSMN1; SMN2
SCHEMBL22588108 0.81 HRH3 (0.59) L3MBTL1CYP1A2CYP3A4CYP2D6POLB
SCHEMBL8118154 0.80 SMN1; SMN2 (0.65) FNTAFNTBCYP19A1ALDH1A1CYP1A2
SCHEMBL4703642 0.80 GRIN2B (0.50) FNTAFNTBL3MBTL1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP claimed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US 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
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO 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
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US 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
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 disclosed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 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) 2008-08-26 US disclosed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
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 disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed
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 disclosed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US disclosed
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 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 (3 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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 FNTA 3697/4885FNTB 2173/4885L3MBTL1 1165/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 FNTA 2587/4885FNTB 1453/4885L3MBTL1 430/4885
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 FNTA 3596/4885FNTB 3007/4885L3MBTL1 3437/4885

“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.