SCHEMBL4716612

SCHEMBL4716612

Brc1cncc(NC2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
LSS P48449 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CHKA P35790 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL3963182 0.81 DRD2 (0.52) KDM1AMAOBLSSDRD2DRD3
SCHEMBL22574279 0.79 SMYD3 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL23501662 0.79 POLB (0.47) CHRNB2CHRNA4CHRNB4CHRNA3HRH4
SCHEMBL29934046 0.79 POLB (0.47) CHRNB2CHRNA4CHRNB4CHRNA3HRH4
SCHEMBL3515522 0.76 ALDH1A1 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL19947447 0.75 MAPK1 (0.42) KDM1AMAOBMAPTSMN1; SMN2MEN1
SCHEMBL29933947 0.75 MAPK1 (0.42) KDM1AMAOBMAPTSMN1; SMN2MEN1
SCHEMBL19947442 0.73 RIPK2 (0.43) CHRNB2CHRNA4ROCK2ROCK1
SCHEMBL19947310 0.73 RIPK2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3EHMT2
SCHEMBL19984630 0.72 PIM1 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3MEN1

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 KDM1A 4099/4885MAOB 326/4885LSS 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.