SCHEMBL3388698

SCHEMBL3388698

COc1ccc2cc(-c3ccc(N4CC5CCC(C4)N5C)nn3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.49
CHRNA7 P36544 7/20 0.47
HRH3 Q9Y5N1 1/20 0.45
TP53 P04637 2/20 0.41
HTR3A P46098 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KCNH2 Q12809 3/20 0.40
FDFT1 P37268 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
SCHEMBL3390767 0.89 CHRNA7 (0.48) SCDCHRNA7TP53HTR3ACHRNB4
SCHEMBL3388713 0.87 CHRNA7 (0.47) SCDCHRNA7TP53HTR3ACHRNB4
SCHEMBL1449412 0.84 CHRNA7 (0.46) SCDCHRNA7HRH3TP53HTR3A
SCHEMBL2676801 0.84 CHRNA7 (0.46) SCDCHRNA7HRH3TP53HTR3A
SCHEMBL2678504 0.83 CHRNA7 (0.45) SCDCHRNA7TP53HTR3ACHRNB4
SCHEMBL1449308 0.83 CHRNA7 (0.45) SCDCHRNA7TP53HTR3ACHRNB4
SCHEMBL2677215 0.82 CHRNA7 (0.47) SCDCHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL1449712 0.82 CHRNA7 (0.47) SCDCHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL2677926 0.79 TP53 (0.43) CHRNA7TP53HTR3ACHRNB4CHRNA3
SCHEMBL4130815 0.78 HRH3 (0.52) SCDHRH3TP53NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805183-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-12-29 EP claimed
US-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use NEUROSEARCH A/S (DK) 2008-06-26 US claimed
EP-1805183-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-07-11 EP claimed
WO-2006045716-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-05-04 WO claimed
EP-1805183-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-12-29 EP disclosed
US-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use NEUROSEARCH A/S (DK) 2008-06-26 US disclosed
EP-1805183-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-07-11 EP disclosed
WO-2006045716-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-05-04 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-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use CHRNA6, CHRNA10, CHRNA2 SCD 1122/4885CHRNA7 6/4885HRH3 546/4885

“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.