SCHEMBL4036373

SCHEMBL4036373

Nc1ccc(CC2=NCCCN2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.68
HTR1D P28221 6/20 0.56
HTR1B P28222 5/20 0.55
TAAR1 Q96RJ0 3/20 0.54
ADRA2A P08913 2/20 0.54
ADRA2B P18089 2/20 0.54
ADRA2C P18825 2/20 0.54
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
CYP2D6 P10635 2/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
NFKB1 P19838 1/20 0.46
PTGIR P43119 1/20 0.44
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NOS3 P29474 1/20 0.42

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
SCHEMBL953972 0.89 RAD52 (0.82) RAD52HTR1DHTR1BTAAR1ADRA2A
SCHEMBL4041332 0.85 MAOB (0.56) RAD52HTR1DHTR1BTAAR1NOS3
SCHEMBL4036369 0.83 HTR1D (0.60) RAD52HTR1DHTR1BTAAR1ADRA2A
SCHEMBL11597510 0.82 TAAR1 (0.79) RAD52HTR1DHTR1BTAAR1ADRA2A
SCHEMBL7005260 0.82 TAAR1 (0.58) RAD52HTR1DHTR1BTAAR1ADRA2A
Hydrochloric Acid SCHEMBL11170308 0.81 TAAR1 (0.80) HTR1DHTR1BTAAR1ADRA2AADRA2B
SCHEMBL4629569 0.75 RAD52 (0.61) RAD52HTR1DHTR1BTAAR1ADRA2A
SCHEMBL7016036 0.75 TAAR1 (0.49) RAD52HTR1DHTR1BTAAR1ADRA2A
SCHEMBL7102273 0.74 HTR1D (0.46) RAD52HTR1DHTR1BTAAR1ADRA2A
SCHEMBL7011091 0.74 HTR1D (0.48) RAD52HTR1DHTR1BTAAR1ADRA2A

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 6 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
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 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 (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 RAD52 3545/4885HTR1D 347/4885HTR1B 70/4885
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 RAD52 2927/4885HTR1D 231/4885HTR1B 56/4885

“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.