SCHEMBL6098642

SCHEMBL6098642

COc1cccc2cnc(C(=O)NC3CC4CNC3C4)cc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.37
HCRTR2 O43614 2/20 0.37
HPGDS O60760 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CHRNA7 P36544 4/20 0.34
HTR3A P46098 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6099240 0.87 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6101004 0.85 CHRNB2 (0.34) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6100239 0.83 HCRTR1 (0.37) HCRTR1HCRTR2HPGDSKDM4EALDH1A1
SCHEMBL6101566 0.83 MTNR1A (0.38) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL6101149 0.82 HCRTR1 (0.39) HCRTR1HCRTR2HPGDSCHRNA7
SCHEMBL6100142 0.82 CHRNA7 (0.32) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6096798 0.82 USP30 (0.34) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6102076 0.81 KDM2B (0.40) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6098747 0.81 TAS1R3 (0.36) KDM4EALDH1A1HPGDHTR3AMAPT
SCHEMBL6099514 0.80 ABL1 (0.41) HPGDS

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 HCRTR1 1335/4885HCRTR2 1490/4885HPGDS 1600/4885

“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.