SCHEMBL6097635

SCHEMBL6097635

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.34
CHRNB2 P17787 5/20 0.33
CHRNA4 P43681 5/20 0.33
CHRNA7 P36544 4/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
HPGD P15428 1/20 0.33
CHRND Q07001 1/20 0.33
CHRNA2 Q15822 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN9A Q15858 1/20 0.32
SLC6A3 Q01959 2/20 0.31
SLC6A4 P31645 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
SCHEMBL6098641 0.88 HCRTR1 (0.33) HCRTR1CHRNB2CHRNA4SCN9ASLC6A3
SCHEMBL6101758 0.85 CHRNB2 (0.34) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6099466 0.85 CHRNB2 (0.36) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6100508 0.85 CHRNB2 (0.33) HCRTR1CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL6101339 0.81 SCN9A (0.37) HCRTR1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6100927 0.81 CHRNB2 (0.35) HCRTR1CHRNB2CHRNA4SCN9ASLC6A3
SCHEMBL6101623 0.81 CHRNB2 (0.34) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6096789 0.80 HCRTR1 (0.34) HCRTR1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6101012 0.80 CHRNB2 (0.33) HCRTR1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6098817 0.80 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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 1335/4885CHRNB2 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.