SCHEMBL6101339

SCHEMBL6101339

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
SLC6A3 Q01959 5/20 0.36
SLC6A4 P31645 3/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
ITGA5 P08648 1/20 0.35
CHRNB1 P11230 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRND Q07001 1/20 0.35
SSTR3 P32745 1/20 0.34
CBLB Q13191 2/20 0.34
ACACB O00763 2/20 0.33
HCRTR1 O43613 2/20 0.32
GRM5 P41594 1/20 0.32
KDM1A O60341 1/20 0.31
MEN1 O00255 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
SCHEMBL6099966 0.88 SCN9A (0.38) SCN9ASLC6A3SLC6A4CHRNB2CHRNA4
SCHEMBL6099971 0.85 SLC6A3 (0.38) SLC6A3SLC6A4CHRNB2CHRNA4CHRNA1
SCHEMBL6099874 0.84 XPO1 (0.37) SCN9ASLC6A3SLC6A4CHRNB2CHRNA4
SCHEMBL6099707 0.84 SLC6A3 (0.38) SLC6A3SLC6A4CHRNB2CHRNA4CHRNA1
SCHEMBL6097635 0.81 HCRTR1 (0.34) SCN9ASLC6A3SLC6A4CHRNB2CHRNA4
SCHEMBL6098147 0.81 SCN9A (0.38) SCN9ASLC6A3CHRNB2CHRNA4
SCHEMBL6100588 0.81 SLC6A3 (0.37) SCN9ASLC6A3SLC6A4CHRNB2CHRNA4
SCHEMBL6100471 0.80 CBLB (0.35) SCN9ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6099474 0.80 CBLB (0.37) CHRNB2CHRNA4CHRNB4CHRNA3SSTR3
SCHEMBL6098615 0.79 CHRNB2 (0.36) SLC6A3SLC6A4CHRNB2CHRNA4CHRNA1

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 1956/4885SLC6A3 1166/4885SLC6A4 2113/4885

“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.