SCHEMBL6098141

SCHEMBL6098141

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.32
SSTR4 P31391 5/20 0.32
SSTR1 P30872 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL6100563 0.88 CHRNB2 (0.33) HCRTR1SSTR4SSTR1IRAK4
SCHEMBL6100540 0.84 HCRTR1 (0.33) HCRTR1IRAK4
SCHEMBL6099923 0.84 CHRNB2 (0.34)
SCHEMBL6096789 0.81 HCRTR1 (0.34) HCRTR1
SCHEMBL6099932 0.81 CNR2 (0.33) SSTR4TAS1R3TAS1R1TAS1R2
SCHEMBL6098300 0.80 HCRTR1 (0.33) HCRTR1SSTR4SSTR1TAS1R3TAS1R1
SCHEMBL6100927 0.80 CHRNB2 (0.35) HCRTR1
SCHEMBL6097489 0.80 HCRTR1 (0.30) HCRTR1
SCHEMBL6101327 0.80 CHRNB2 (0.34)
SCHEMBL6098610 0.78 TAS1R3 (0.35) HCRTR1SSTR4TAS1R3TAS1R1TAS1R2

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 HCRTR1 1335/4885SSTR4 828/4885SSTR1 418/4885

“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.