SCHEMBL6098747

SCHEMBL6098747

COc1cnc(C(=O)NC2CC3CNC2C3)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
STAT3 P40763 3/20 0.36
HTR4 Q13639 2/20 0.35
HTR3A P46098 1/20 0.35
GSK3B P49841 1/20 0.35
CHRM4 P08173 2/20 0.34
CNR2 P34972 1/20 0.34
GRM4 Q14833 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
NAAA Q02083 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6100054 0.84 CHRNB2 (0.35) CHRM4CNR2
SCHEMBL6097551 0.83 CHRNB2 (0.34) TAS1R3TAS1R1CHRM4CNR2HPGD
SCHEMBL6098752 0.82 CHRNB2 (0.35) CHRM4CNR2
SCHEMBL6099397 0.81 CHRNB2 (0.34) TAS1R3TAS1R1CHRM4CNR2HPGD
SCHEMBL6098642 0.81 HCRTR1 (0.37) HTR3AALDH1A1HPGDKDM4EMAPT
SCHEMBL6099401 0.80 ABL1 (0.33) CNR2GRM4
SCHEMBL6100487 0.80 PDE4A (0.33) HTR4HTR3A
SCHEMBL6101288 0.80 TAS1R3 (0.36) TAS1R3TAS1R1STAT3HTR4HTR3A
SCHEMBL6098192 0.80 HTR4 (0.43) TAS1R3TAS1R1STAT3HTR4CNR2
SCHEMBL6100408 0.79 CTSA (0.40) TAS1R3TAS1R1HTR4HTR3ACNR2

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 3628/4885STAT3 4053/4885

“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.