SCHEMBL6100368

SCHEMBL6100368

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 5/20 0.36
ADRB2 P07550 1/20 0.34
FLT3 P36888 1/20 0.34
CNR2 P34972 3/20 0.33
HSD17B13 Q7Z5P4 2/20 0.33
PDE2A O00408 1/20 0.32
SSTR3 P32745 1/20 0.32
P2RX7 Q99572 1/20 0.32
SSTR4 P31391 1/20 0.32

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
SCHEMBL6099932 0.88 CNR2 (0.33) CNR2PDE2AP2RX7SSTR4
SCHEMBL6100158 0.85 PRKAA2 (0.34) CNR2SSTR3
SCHEMBL6099474 0.84 CBLB (0.37) HSD17B13SSTR3P2RX7
SCHEMBL6099172 0.84 SSTR3 (0.34) CNR2HSD17B13SSTR3
SCHEMBL6100563 0.83 CHRNB2 (0.33) XPO1FLT3P2RX7SSTR4
SCHEMBL6096724 0.82 CTSA (0.44) CNR2
SCHEMBL6100160 0.81 CNR2 (0.35) FLT3CNR2
SCHEMBL6099237 0.81 P2RX7 (0.33) CNR2P2RX7SSTR4
SCHEMBL6099424 0.81 SSTR3 (0.38) CNR2SSTR3
SCHEMBL6099874 0.80 XPO1 (0.37) XPO1ADRB2FLT3CNR2PDE2A

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 XPO1 452/4885ADRB2 1421/4885FLT3 776/4885

“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.