SCHEMBL6098641

SCHEMBL6098641

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ncc(F)c(C(F)(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.33
SLC6A3 Q01959 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
SCN9A Q15858 1/20 0.32
KDM1A O60341 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
SCHEMBL6097635 0.88 HCRTR1 (0.34) HCRTR1SLC6A3CHRNB2CHRNA4SCN9A
SCHEMBL6100927 0.84 CHRNB2 (0.35) HCRTR1SLC6A3CHRNB2CHRNA4SCN9A
SCHEMBL6101623 0.84 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL6100508 0.81 CHRNB2 (0.33) HCRTR1CHRNB2CHRNA4SCN9A
SCHEMBL6099966 0.81 SCN9A (0.38) HCRTR1SLC6A3CHRNB2CHRNA4SCN9A
SCHEMBL6101282 0.80 HCRTR1 (0.31) HCRTR1
SCHEMBL6100540 0.80 HCRTR1 (0.33) HCRTR1
SCHEMBL6101758 0.80 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL6097725 0.78 TAS1R3 (0.37) HCRTR1SLC6A3CHRNB2CHRNA4SCN9A
SCHEMBL6099466 0.77 CHRNB2 (0.36) SLC6A3CHRNB2CHRNA4

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 HCRTR1 1335/4885SLC6A3 1166/4885CHRNB2 2627/4885

“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.