SCHEMBL4711666

SCHEMBL4711666

[O]C1CCN(c2ccncc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.61
ADRB2 P07550 1/20 0.55
NCF1 P14598 1/20 0.55
PLD1 Q13393 1/20 0.55
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP2C9 P11712 1/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
LSS P48449 2/20 0.43
EED O75530 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL28112415 0.81 CHKA (0.80) CHKAADRB2NCF1PLD1TSHR
SCHEMBL4712014 0.81 CHKA (0.59) CHKAADRB2NCF1PLD1KDM1A
SCHEMBL223203 0.81 CHKA (0.59) CHKAADRB2NCF1PLD1KDM1A
SCHEMBL48910 0.81 CHKA (0.59) CHKAADRB2NCF1PLD1KDM1A
SCHEMBL4703601 0.81 CHKA (0.59) CHKAADRB2NCF1PLD1KDM1A
SCHEMBL206718 0.81 CHKA (0.59) CHKAADRB2NCF1PLD1KDM1A
SCHEMBL3895819 0.80 CHKA (0.53) CHKAADRB2NCF1PLD1KDM1A
SCHEMBL3895823 0.80 CHKA (0.53) CHKAADRB2NCF1PLD1KDM1A
SCHEMBL4713972 0.80 CHKA (0.53) CHKAADRB2NCF1PLD1KDM1A
Hydrochloric Acid SCHEMBL784685 0.79 CHKA (0.57) CHKAADRB2NCF1PLD1KDM1A

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.