SCHEMBL6099327

SCHEMBL6099327

N#Cc1ccc2ccc(C(=O)NC3CC4CC3CN4)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
HTR1D P28221 1/20 0.40
PLAU P00749 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 1/20 0.38
PIN1 Q13526 1/20 0.37
KDM2B Q8NHM5 2/20 0.37
ESR1 P03372 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SSTR3 P32745 1/20 0.36
CCKBR P32239 1/20 0.36

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
SCHEMBL6099794 0.89 SSTR3 (0.36) EPHX2SSTR3CCKBR
SCHEMBL6101484 0.85 SSTR3 (0.47) SSTR3
SCHEMBL6099763 0.84 DEGS1 (0.39) NPC1RAB9AMEN1KMT2ASSTR3
SCHEMBL6101122 0.83 IRAK4 (0.38) EPHX2
SCHEMBL6099482 0.83 F10 (0.45) DRD2DRD3SSTR3
SCHEMBL6310028 0.81 EPHX2 (0.51) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL6099300 0.81 EPHX2 (0.36) EPHX2NPC1RAB9AKDM2BSSTR3
SCHEMBL6100398 0.81 EPHX2 (0.36) EPHX2SSTR3
SCHEMBL6099318 0.80 EPHX2 (0.42) EPHX2DRD2DRD3HTR1DPLAU
SCHEMBL6099892 0.80 EPHX2 (0.45) EPHX2DRD2DRD3HTR1DNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP claimed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 EPHX2 517/4885DRD2 3003/4885DRD3 3083/4885

“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.