SCHEMBL4789510

SCHEMBL4789510

NC=CCC1CCCCN1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.41
FFAR1 O14842 7/20 0.40
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
USP30 Q70CQ3 1/20 0.35
PPARG P37231 1/20 0.35
MBTD1 Q05BQ5 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL27543742 0.81 FFAR1 (0.42) CHRM1FFAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8120916 0.79 FFAR1 (0.44) CHRM1FFAR1SLC6A2SLC6A4SLC6A3
SCHEMBL17274267 0.77 OPRD1 (0.47)
SCHEMBL988869 0.76 FFAR1 (0.46) FFAR1SLC6A2SLC6A4SLC6A3PPARG
SCHEMBL1533287 0.76 FFAR1 (0.48) FFAR1SLC6A2SLC6A4SLC6A3PPARG
SCHEMBL6231189 0.76 FFAR1 (0.48) FFAR1SLC6A2SLC6A4SLC6A3PPARG
SCHEMBL11305991 0.76 FFAR1 (0.44) FFAR1SLC6A2SLC6A4SLC6A3PPARG
SCHEMBL25956608 0.76 MAPT (0.49) FFAR1L3MBTL1ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL29156845 0.74 HPGD (0.48) FFAR1L3MBTL1ALDH1A1MAPTHPGD
SCHEMBL28140950 0.74 FFAR1 (0.44) FFAR1SLC6A2SLC6A4SLC6A3PPARG

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 5 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 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-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
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 CHRM1 632/4885FFAR1 781/4885SLC6A2 2937/4885
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 CHRM1 634/4885FFAR1 49/4885SLC6A2 4412/4885

“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.