SCHEMBL4714567

SCHEMBL4714567

[CH2]CCC1CCN(c2ccncc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.50
ADRB2 P07550 1/20 0.46
NCF1 P14598 1/20 0.46
PLD1 Q13393 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
LSS P48449 2/20 0.41
HRH3 Q9Y5N1 3/20 0.41
HRH4 Q9H3N8 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
BDKRB1 P46663 2/20 0.40
F10 P00742 1/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL4712975 0.86 CHKA (0.50) CHKAADRB2NCF1PLD1DRD2
SCHEMBL4717561 0.86 CHKA (0.53) CHKAADRB2NCF1PLD1DRD2
SCHEMBL7334686 0.83 MAPT (0.54) CHKAADRB2NCF1PLD1DRD2
SCHEMBL21101188 0.83 CHKA (0.50) CHKAADRB2NCF1PLD1DRD2
SCHEMBL4702854 0.83 CHKA (0.50) CHKAADRB2NCF1PLD1DRD2
SCHEMBL785766 0.83 CHKA (0.50) CHKAADRB2NCF1PLD1DRD2
SCHEMBL4713972 0.82 CHKA (0.53) CHKAADRB2NCF1PLD1DRD2
SCHEMBL28179028 0.82 CHKA (0.46) CHKAADRB2NCF1PLD1DRD2
Hydrochloric Acid SCHEMBL2338735 0.81 CHKA (0.48) CHKAADRB2NCF1PLD1DRD2
SCHEMBL7329597 0.80 CHKA (0.47) CHKAADRB2NCF1PLD1DRD2

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-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP claimed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO claimed
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 CHKA 1031/4885ADRB2 95/4885NCF1 1164/4885

“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.