SCHEMBL4701627

SCHEMBL4701627

CC(N)(c1ccccc1)N1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.66
CHRM3 P20309 4/20 0.40
CHRM2 P08172 4/20 0.40
CHRM1 P11229 4/20 0.40
OPRM1 P35372 4/20 0.40
KCNH2 Q12809 4/20 0.40
HTR1A P08908 3/20 0.40
CYP2D6 P10635 3/20 0.40
LMNA P02545 1/20 0.40
KCNN4 O15554 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
DRD1 P21728 2/20 0.38
DRD3 P35462 2/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL4821441 1.00 CYP2B6 (0.66) CYP2B6CHRM3CHRM2CHRM1OPRM1
SCHEMBL4703443 1.00 CYP2B6 (0.66) CYP2B6CHRM3CHRM2CHRM1OPRM1
SCHEMBL5179250 0.98 CYP2B6 (0.62) CYP2B6CHRM3CHRM2CHRM1OPRM1
SCHEMBL9098076 0.98 CYP2B6 (0.62) CYP2B6CHRM3CHRM2CHRM1OPRM1
SCHEMBL11398380 0.79 CYP2B6 (1.00) CYP2B6CHRM3CHRM2CHRM1OPRM1
SCHEMBL2697745 0.79 CYP2B6 (1.00) CYP2B6CHRM3CHRM2CHRM1OPRM1
SCHEMBL17810248 0.77 CYP2B6 (0.67) CYP2B6CHRM3CHRM2CHRM1OPRM1
SCHEMBL3001628 0.77 CYP2B6 (0.55) CYP2B6CHRM3CHRM2CHRM1OPRM1
SCHEMBL19011533 0.77 CYP2B6 (0.96) CYP2B6CHRM3CHRM2CHRM1OPRM1
SCHEMBL19296941 0.74 CYP2B6 (0.63) CYP2B6CHRM3CHRM2CHRM1OPRM1

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 16 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
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
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
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 CYP2B6 918/4885CHRM3 803/4885CHRM2 945/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 CYP2B6 1854/4885CHRM3 1042/4885CHRM2 580/4885
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 CYP2B6 479/4885CHRM3 831/4885CHRM2 749/4885

“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.