SCHEMBL6101288

SCHEMBL6101288

COc1cnc(C(=O)NC2CC3CC2CN3)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
CNR2 P34972 2/20 0.36
STAT3 P40763 1/20 0.36
GRM4 Q14833 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
PDCD1 Q15116 7/20 0.36
CD274 Q9NZQ7 7/20 0.36
HTR4 Q13639 2/20 0.35
HTR3A P46098 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL6098934 0.84 CHRNB2 (0.35) CNR2HTR3ACHRNB2CHRNA4CHRM4
SCHEMBL6098297 0.83 AKT1 (0.35) TAS1R3TAS1R1CNR2CHRNB2CHRNA4
SCHEMBL6101077 0.82 CHRNB2 (0.35) CNR2HTR3ACHRNB2CHRNA4CHRM4
SCHEMBL6100239 0.81 HCRTR1 (0.37) PDCD1CD274
SCHEMBL6102034 0.81 AKT1 (0.35) CNR2CHRNB2CHRNA4CHRM4
SCHEMBL6098192 0.80 HTR4 (0.43) TAS1R3TAS1R1CNR2STAT3MALT1
SCHEMBL6100160 0.80 CNR2 (0.35) CNR2GRM4CHRNB2CHRNA4
SCHEMBL6098747 0.80 TAS1R3 (0.36) TAS1R3TAS1R1CNR2STAT3GRM4
SCHEMBL6100189 0.80 CHRNB2 (0.34) HTR4HTR3ACHRNB2CHRNA4
SCHEMBL6096724 0.79 CTSA (0.44) TAS1R3TAS1R1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US 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 TAS1R3 4186/4885TAS1R1 3628/4885CNR2 642/4885

“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.