SCHEMBL4033229

SCHEMBL4033229

Nc1ccc(CCc2ncc[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.52
TAAR1 Q96RJ0 4/20 0.46
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
RAB9A P51151 2/20 0.43
TERT O14746 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
TBXAS1 P24557 2/20 0.40
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL177767 0.83 TAAR1 (0.67) TAAR1RAB9ANPC1CYP19A1ALDH1A1
SCHEMBL11291665 0.81 TAAR1 (0.47) TAAR1TERTTBXAS1ALOX15
SCHEMBL11295456 0.81 TAAR1 (0.50) GFERTAAR1RAB9ATERTMEN1
SCHEMBL11411805 0.81 ESR1 (0.52) TAAR1TERTKMT2ATBXAS1ALDH1A1
SCHEMBL4033225 0.81 TAAR1 (0.46) TAAR1TERTTBXAS1SMN1; SMN2ALOX15
SCHEMBL570036 0.81 TAAR1 (0.69) TAAR1RAB9ATERTNPC1TBXAS1
SCHEMBL7462548 0.80 MAPT (0.54) TAAR1MAOBMAOARAB9ATERT
SCHEMBL285224 0.79 TERT (0.59) TAAR1TERTTBXAS1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL1846181 0.79 TAAR1 (0.67) TAAR1MAOBMAOARAB9ATERT
SCHEMBL7022457 0.78 TBXAS1 (0.45) TAAR1MAOBTERTTBXAS1ALDH1A1

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
EP-1635821-B1 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2009-07-08 EP claimed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US claimed
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 US claimed
EP-1635821-B1 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2009-07-08 EP disclosed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US disclosed
EP-1635821-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 US disclosed
WO-2004099155-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL) AMIDE DERIVATES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMATORY 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 (2 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-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, LTB4R GFER 3370/4885TAAR1 109/4885MAOB 615/4885
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 GFER 3219/4885TAAR1 351/4885MAOB 440/4885

“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.