SCHEMBL6099474

SCHEMBL6099474

O=C(NC1CC2CC1CN2)c1ccc(Cl)c(C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 2/20 0.37
SSTR3 P32745 1/20 0.36
HCRTR1 O43613 2/20 0.32
P2RX7 Q99572 1/20 0.32
CRHR1 P34998 3/20 0.32
AKT1 P31749 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
HSD17B13 Q7Z5P4 2/20 0.31

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
SCHEMBL6099237 0.88 P2RX7 (0.33) HCRTR1P2RX7
SCHEMBL6099424 0.85 SSTR3 (0.38) SSTR3AKT1CHRNB2CHRNB4CHRNA3
SCHEMBL6100368 0.84 XPO1 (0.36) SSTR3P2RX7HSD17B13
SCHEMBL6100152 0.84 SSTR3 (0.39) SSTR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6096789 0.81 HCRTR1 (0.34) HCRTR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6099932 0.81 CNR2 (0.33) P2RX7
SCHEMBL6100158 0.81 PRKAA2 (0.34) SSTR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6101339 0.80 SCN9A (0.37) CBLBSSTR3HCRTR1CHRNB2CHRNB4
SCHEMBL6100471 0.80 CBLB (0.35) CBLBSSTR3HCRTR1CHRNB2CHRNB4
SCHEMBL6099172 0.79 SSTR3 (0.34) SSTR3CHRNB2CHRNB4CHRNA3CHRNA4

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 CBLB 2898/4885SSTR3 463/4885HCRTR1 1335/4885

“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.