SCHEMBL6100310

SCHEMBL6100310

O=C(NC1CC2CNC1C2)c1ccc(F)c(C(F)(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.32
SCN9A Q15858 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
P2RY14 Q15391 2/20 0.31
TMEM97 Q5BJF2 1/20 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
SCHEMBL6100471 0.88 CBLB (0.35) SCN9AP2RY14TMEM97
SCHEMBL6098969 0.84 PDE2A (0.33) SCN9ATAS1R3TAS1R1TAS1R2P2RY14
SCHEMBL6099391 0.84 GRM5 (0.34) TAS1R3TAS1R1TAS1R2
SCHEMBL6098194 0.81 XPO1 (0.35)
SCHEMBL6101282 0.81 HCRTR1 (0.31)
SCHEMBL6099237 0.80 P2RX7 (0.33) SCN8ASCN9ATAS1R3TAS1R1TAS1R2
SCHEMBL6099966 0.80 SCN9A (0.38) SCN9ATAS1R3TAS1R1TAS1R2
SCHEMBL6100546 0.79 SSTR3 (0.34)
SCHEMBL6098638 0.76 ASPH (0.33) SCN9ATAS1R3TAS1R1TAS1R2
SCHEMBL6099222 0.76 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2

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 SCN8A 2089/4885SCN9A 1956/4885TAS1R3 4186/4885

“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.