SCHEMBL6479162

SCHEMBL6479162

N#Cc1cc2ccc(C(=O)NC3CC4CNC3C4)cc2o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.35
CHRNA7 P36544 4/20 0.34
HTR3E A5X5Y0 2/20 0.34
HTR3B O95264 2/20 0.34
HTR3A P46098 2/20 0.34
HTR3D Q70Z44 2/20 0.34
HTR3C Q8WXA8 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CYP2A6 P11509 1/20 0.34
HDAC6 Q9UBN7 4/20 0.34
EPHX2 P34913 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
CYP2D6 P10635 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL6488451 0.92 CHRNA7 (0.34) DPP4CHRNA7HTR3EHTR3BHTR3A
SCHEMBL6492892 0.84 CHRNA7 (0.39) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6487556 0.82 CHRNA7 (0.35) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6490013 0.82 POLB (0.36) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL843017 0.82 CHRNA7 (0.33) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6493542 0.81 CYP2A6 (0.36) DPP4CHRNA7HTR3EHTR3BHTR3A
SCHEMBL6099318 0.80 EPHX2 (0.42) DPP4EPHX2DRD2DRD3NPC1
SCHEMBL6489318 0.79 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6479577 0.78 CHRNA7 (0.34) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6099257 0.77 GRM5 (0.36) EPHX2NPC1RAB9AEZH2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US claimed
EP-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP claimed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US claimed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US claimed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO claimed
US-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US disclosed
EP-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US disclosed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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 (2 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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 DPP4 3148/4885CHRNA7 2449/4885HTR3E 4683/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 DPP4 3148/4885CHRNA7 2449/4885HTR3E 4683/4885

“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.