SCHEMBL6099482

SCHEMBL6099482

O=C(NC1CC2CC1CN2)c1ccc2ccc(Cl)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.45
DRD4 P21917 3/20 0.43
SSTR3 P32745 1/20 0.42
MCHR1 Q99705 1/20 0.40
GRM5 P41594 1/20 0.39
SLC6A12 P48065 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CHRNA7 P36544 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6101484 0.88 SSTR3 (0.47) DRD4SSTR3SLC6A12SLC6A13
SCHEMBL6099763 0.87 DEGS1 (0.39) DRD4SSTR3MCHR1SLC6A12SLC6A13
SCHEMBL6099327 0.83 EPHX2 (0.45) SSTR3DRD2DRD3
SCHEMBL6098763 0.83 SMYD3 (0.52) DRD4HDAC8
SCHEMBL6099794 0.83 SSTR3 (0.36) DRD4SSTR3SLC6A12SLC6A13CHRNA7
SCHEMBL6099269 0.82 F10 (0.40) F10HTR3EHTR3BCHRNA7HTR3A
SCHEMBL6099232 0.81 SSTR3 (0.41) F10DRD4SSTR3GRM5SLC6A12
SCHEMBL6099712 0.81 SSTR3 (0.41) F10DRD4SSTR3GRM5CHRNA7
SCHEMBL6311528 0.80 CHRNA7 (0.46) F10HTR3EHTR3BALOX15TSHR
SCHEMBL6304573 0.80 MMP2 (0.47) HTR3EHTR3BALOX15TSHRCHRNA7

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 F10 2793/4885DRD4 2751/4885SSTR3 463/4885

“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.