SCHEMBL6100563

SCHEMBL6100563

O=C(NC1CC2CC1CN2)c1ncc(C(F)(F)F)c(Cl)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
HCRTR1 O43613 3/20 0.32
SSTR4 P31391 4/20 0.32
XPO1 O14980 3/20 0.31
SSTR1 P30872 1/20 0.31
P2RX7 Q99572 1/20 0.31
ABL1 P00519 2/20 0.30
BCR P11274 2/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
FLT3 P36888 1/20 0.30

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
SCHEMBL6098141 0.88 HCRTR1 (0.32) HCRTR1SSTR4SSTR1IRAK4
SCHEMBL6101327 0.85 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6096789 0.85 HCRTR1 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4HCRTR1
SCHEMBL6101577 0.84 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6100368 0.83 XPO1 (0.36) SSTR4XPO1P2RX7FLT3
SCHEMBL6100540 0.81 HCRTR1 (0.33) HCRTR1IRAK4
SCHEMBL6099923 0.81 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4P2RX7
SCHEMBL6100205 0.81 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4P2RX7
SCHEMBL6100508 0.80 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4HCRTR1
SCHEMBL6100189 0.80 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4HCRTR1

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
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
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US 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 CHRNB2 2627/4885CHRNB4 3181/4885CHRNA3 2220/4885

“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.