SCHEMBL6098147

SCHEMBL6098147

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(C(F)(F)F)c(F)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
SLC6A3 Q01959 2/20 0.34
CNR2 P34972 7/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
PDE2A O00408 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL6099874 0.88 XPO1 (0.37) SCN9ACHRNB2CHRNA4SLC6A3CNR2
SCHEMBL6099966 0.84 SCN9A (0.38) SCN9ACHRNB2CHRNA4SLC6A3TAS1R3
SCHEMBL6099971 0.84 SLC6A3 (0.38) CHRNB2CHRNA4SLC6A3
SCHEMBL6101339 0.81 SCN9A (0.37) SCN9ACHRNB2CHRNA4SLC6A3
SCHEMBL6100927 0.81 CHRNB2 (0.35) SCN9ACHRNB2CHRNA4SLC6A3
SCHEMBL6098969 0.80 PDE2A (0.33) SCN9ACNR2TAS1R3TAS1R1TAS1R2
SCHEMBL6099932 0.80 CNR2 (0.33) SCN9ACNR2TAS1R3TAS1R1TAS1R2
SCHEMBL6100588 0.79 SLC6A3 (0.37) SCN9ACHRNB2CHRNA4SLC6A3
SCHEMBL6099231 0.79 SCN9A (0.37) SCN9ACHRNB2CHRNA4SLC6A3TAS1R3
SCHEMBL6097725 0.79 TAS1R3 (0.37) SCN9ACHRNB2CHRNA4SLC6A3TAS1R3

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 3 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
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 SCN9A 1956/4885CHRNB2 2627/4885CHRNA4 2863/4885

“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.