SCHEMBL4712014

SCHEMBL4712014

[CH2]C1CCN(c2ccncc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.59
ADRB2 P07550 1/20 0.53
NCF1 P14598 1/20 0.53
PLD1 Q13393 1/20 0.53
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
EED O75530 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
TSHR P16473 2/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL4711666 0.81 CHKA (0.61) CHKAADRB2NCF1PLD1KDM1A
SCHEMBL28112415 0.79 CHKA (0.80) CHKAADRB2NCF1PLD1EED
SCHEMBL48910 0.79 CHKA (0.59) CHKAADRB2NCF1PLD1KDM1A
SCHEMBL206718 0.79 CHKA (0.59) CHKAADRB2NCF1PLD1KDM1A
SCHEMBL223203 0.79 CHKA (0.59) CHKAADRB2NCF1PLD1KDM1A
SCHEMBL4703601 0.79 CHKA (0.59) CHKAADRB2NCF1PLD1KDM1A
SCHEMBL4717561 0.79 CHKA (0.53) CHKAADRB2NCF1PLD1KDM1A
SCHEMBL5412058 0.78 MBTD1 (0.57) CYP3A4KCNH2L3MBTL3L3MBTL1MAPT
Hydrochloric Acid SCHEMBL8879338 0.78 CHKA (0.57) CHKAADRB2NCF1PLD1KDM1A
Hydrochloric Acid SCHEMBL784685 0.78 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 7 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
CN-109952300-B 5-or 8-substituted imidazo [1,5-a ] pyridines 百济神州有限公司 2022-01-18 CN disclosed
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.