SCHEMBL6495494

SCHEMBL6495494

O=C(NC1CN2CCC1C2)c1cc(-c2ccccc2)on1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.63
HTR3E A5X5Y0 6/20 0.63
HTR3B O95264 6/20 0.63
HTR3A P46098 6/20 0.63
HTR3D Q70Z44 6/20 0.63
HTR3C Q8WXA8 6/20 0.63
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
S1PR1 P21453 1/20 0.59
USP30 Q70CQ3 1/20 0.58
FAAH O00519 1/20 0.57
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
HIF1A Q16665 1/20 0.53

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
SCHEMBL7059721 0.95 CHRNA7 (0.69) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7061849 0.84 CHRNA7 (0.56) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6492493 0.79 CHRNA7 (0.59) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4198172 0.78 ALDH1A1 (0.72) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4202120 0.78 ALDH1A1 (0.72) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7059178 0.76 CHRNB2 (0.63) CHRNA7NPC1RAB9AS1PR1USP30
SCHEMBL6099406 0.76 CHRNA7 (0.58) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL17933816 0.75 NPC1 (0.95) NPC1RAB9AS1PR1
SCHEMBL7123351 0.75 CHRNA7 (0.63) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6496769 0.75 USP30 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 CHRNA7 1097/4885HTR3E 3516/4885HTR3B 2561/4885

“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.