SCHEMBL4475930

SCHEMBL4475930

C1=CC2(c3ccc(-c4ccsc4)nc3)CCN(C1)C2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.37
FYN P06241 8/20 0.36
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
NPC1 O15118 2/20 0.32
AR P10275 1/20 0.30
NPY5R Q15761 1/20 0.30

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
SCHEMBL4463770 0.84 ALOX5AP (0.34) CYP11B1CYP11B2
SCHEMBL4463819 0.83 HSD11B1 (0.38) CYP11B1CYP11B2NPY5R
Bromide SCHEMBL4466117 0.82 HSD11B1 (0.37) CYP11B1CYP11B2NPY5R
SCHEMBL4470449 0.81 SLC6A2 (0.38) FYN
SCHEMBL4475112 0.81 CHRNA7 (0.37)
SCHEMBL4461401 0.80 ALOX5AP (0.31)
SCHEMBL5220760 0.80 CYP11B1 (0.36) FYNCYP11B1CYP11B2
SCHEMBL1483198 0.79 ALOX5AP (0.37)
Bromide SCHEMBL4479130 0.79 CYP11B1 (0.35) FYNCYP11B1CYP11B2
SCHEMBL4483243 0.79 CYP2A6 (0.41) CYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585974-B2 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2009-09-08 US claimed
US-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2007-08-09 US claimed

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-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application PAICS, CYC1, AADAC HRH4 834/4885FYN 2086/4885CYP11B1 136/4885

“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.