SCHEMBL4036369

SCHEMBL4036369

[NH]c1ccc(CC2=NCCCN2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.60
TAAR1 Q96RJ0 5/20 0.59
ADRA2A P08913 2/20 0.59
ADRA2B P18089 2/20 0.59
ADRA2C P18825 2/20 0.59
ADRA1D P25100 2/20 0.59
ADRA1A P35348 2/20 0.59
ADRA1B P35368 2/20 0.59
CYP2D6 P10635 2/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
TSHR P16473 1/20 0.59
HTR1B P28222 5/20 0.55
RAD52 P43351 1/20 0.51
NFKB1 P19838 1/20 0.50
PTGIR P43119 1/20 0.48
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NISCH Q9Y2I1 1/20 0.41

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
SCHEMBL4037274 0.91 HTR1D (0.71) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL4036373 0.83 RAD52 (0.68) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL11597510 0.82 TAAR1 (0.79) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7005260 0.82 TAAR1 (0.58) HTR1DTAAR1ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL11170308 0.81 TAAR1 (0.80) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL9393147 0.75 HTR1D (0.69) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL2869241 0.75 HTR1D (0.69) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL953972 0.75 RAD52 (0.82) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7016036 0.75 TAAR1 (0.49) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7011091 0.74 HTR1D (0.48) HTR1DTAAR1ADRA2AADRA2BADRA2C

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 HTR1D 347/4885TAAR1 109/4885ADRA2A 179/4885
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 HTR1D 231/4885TAAR1 351/4885ADRA2A 288/4885

“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.