SCHEMBL6101178

SCHEMBL6101178

O=C(NC1CC2CC1CN2)c1cnc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.52
CXCR4 P61073 1/20 0.47
MGAM O43451 1/20 0.47
BCAT1 P54687 1/20 0.45
ABCB1 P08183 1/20 0.44
HTR3A P46098 1/20 0.43
PREP P48147 1/20 0.42
CFTR P13569 1/20 0.42
KDR P35968 1/20 0.41
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
TNKS O95271 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL6098549 0.85 HTR3A (0.60) BCAT1HTR3ACHRNA7HDAC1HDAC2
SCHEMBL6101484 0.82 SSTR3 (0.47)
SCHEMBL844143 0.81 SMYD3 (0.38) HPGDSHTR3ACHRNB2CHRNA7CHRNA4
SCHEMBL843470 0.81 MASP2 (0.39) HPGDSHTR3ACHRNB2CHRNA7CHRNA4
SCHEMBL6097134 0.81 HPGDS (0.54) HPGDSCXCR4MGAMBCAT1ABCB1
SCHEMBL6100127 0.81 HPGDS (0.51) HPGDSCXCR4MGAMBCAT1ABCB1
SCHEMBL6392189 0.76 ROCK2 (0.53)
SCHEMBL6098306 0.74 HTR3A (0.74) HPGDSHTR3ACHRNB2CHRNA7CHRNA4
SCHEMBL6099763 0.74 DEGS1 (0.39) CHRNA7
SCHEMBL6832879 0.74 HPGDS (0.57) HPGDSCXCR4MGAMBCAT1ABCB1

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 HPGDS 1600/4885CXCR4 781/4885MGAM 4362/4885

“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.