SCHEMBL4830376

SCHEMBL4830376

O=C(COCc1ccccc1)N1CCCCCC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.71
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NPC1 O15118 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.52

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
SCHEMBL13315137 0.95 GRM5 (0.73) GRM5MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL14003912 0.86 TDP1 (0.67) GRM5TDP1POLB
SCHEMBL13504007 0.84 GRM5 (0.72) GRM5MEN1KMT2ATDP1ALDH1A1
SCHEMBL9417308 0.84 GRM5 (0.72) GRM5MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL1824981 0.84 GRM5 (0.68) GRM5MEN1KMT2AALDH1A1
SCHEMBL1902638 0.83 GRM5 (1.00) GRM5SMN1; SMN2NPSR1NPC1ALDH1A1
SCHEMBL7280507 0.83 GRM5 (0.70) GRM5NPC1TDP1POLB
SCHEMBL1946924 0.83 GRM5 (0.70) GRM5MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4703743 0.82 GRM5 (0.54) GRM5MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL4703742 0.82 GRM5 (0.54) GRM5MEN1KMT2ASMN1; SMN2NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRM5 1396/4885MEN1 1010/4885KMT2A 3940/4885
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 GRM5 736/4885MEN1 3044/4885KMT2A 2589/4885

“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.