SCHEMBL4036389

SCHEMBL4036389

c1ccc2[nH]c(-c3nnc(N4CCN5CCC4CC5)s3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.39
HTR3A P46098 2/20 0.39
HRH3 Q9Y5N1 3/20 0.38
VCP P55072 2/20 0.37
KDR P35968 2/20 0.36
MET P08581 1/20 0.36
RET P07949 2/20 0.35
ITK Q08881 1/20 0.35

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
SCHEMBL2638565 0.76 HRH3 (0.56) CHRNA7HTR3AHRH3
SCHEMBL5352559 0.76 CHRNA7 (0.40) CHRNA7HTR3AVCPKDRRET
SCHEMBL4035497 0.76 CHRNA7 (0.55) CHRNA7HTR3A
SCHEMBL2639709 0.76 CHRNA7 (0.43) CHRNA7HTR3AHRH3
SCHEMBL2641481 0.76 CHRNA7 (0.40) CHRNA7HTR3AHRH3
SCHEMBL2638577 0.76 KMT2A (0.40) CHRNA7HTR3AHRH3
Bromide SCHEMBL5671610 0.75 HRH3 (0.55) CHRNA7HTR3AHRH3
SCHEMBL2639297 0.75 CHRNA7 (0.36) CHRNA7HTR3AHRH3
SCHEMBL4039807 0.74 CHRNA7 (0.44) CHRNA7HTR3AHRH3
SCHEMBL2638877 0.73 CHRNA7 (0.43) CHRNA7HTR3AHRH3

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-1785425-B1 1,4-Diazabicycloalkane derivatives, their preparation and use NEUROSEARCH AS (DK) 2009-03-25 EP disclosed
US-7220741-B2 1,4-diazabicycloalkane derivatives, their preparation and use NEUROSEARCH A/S (DK) 2007-05-22 US disclosed
EP-1785425-A2 Novel 1,4-diazabicycloalkane derivatives, their preparation and use NeuroSearch A/S (DK) 2007-05-16 EP disclosed
US-20060122172-A1 Novel 1,4-diazabicycloalkane derivatives, their preparation and use DANPET AB (SE) 2006-06-08 US disclosed
EP-1551835-A1 NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE NeuroSearch A/S (DK) 2005-07-13 EP disclosed
WO-2004029053-A1 NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2004-04-08 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-20060122172-A1 Novel 1,4-diazabicycloalkane derivatives, their preparation and use CHRNA5, CHRNA7, CHRNA6 CHRNA7 2/4885HTR3A 164/4885HRH3 672/4885

“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.