SCHEMBL4711656

SCHEMBL4711656

O=C(O)CCCC1CCN(c2ccncc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.54
ITGA2B P08514 17/20 0.54
LSS P48449 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43

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
Hydrochloric Acid SCHEMBL27544932 0.89 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL6794719 0.87 FFAR4 (0.51) FFAR4
SCHEMBL12042021 0.83 NOTUM (0.56) FFAR4
SCHEMBL381806 0.82 NOTUM (0.54) FFAR4
SCHEMBL2942824 0.82 ITGB3 (0.63) ITGB3ITGA2BLSSFFAR4
SCHEMBL7329597 0.82 CHKA (0.47) ITGB3ITGA2BLSS
Hydrochloric Acid SCHEMBL2948256 0.81 ITGB3 (0.62) ITGB3ITGA2BLSSFFAR4
SCHEMBL12042028 0.81 PTGER2 (0.54) FFAR4
Hydrochloric Acid SCHEMBL9024111 0.80 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL7790326 0.80 ITGB3 (0.55) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 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 (1 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 ITGB3 4278/4885ITGA2B 2807/4885LSS 3081/4885

“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.