SCHEMBL16790940

SCHEMBL16790940

O=C(CC(c1ccccc1)c1ccccc1)O[C@H]1CN2CCC1CC2

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.64
CHRM3 P20309 9/20 0.63
CHRNA7 P36544 2/20 0.58
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
CHRM2 P08172 7/20 0.56
CHRM1 P11229 7/20 0.56
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL16790937 1.00 CYP2D6 (0.64) CYP2D6CHRM3CHRNA7BCHEACHE
SCHEMBL12847023 0.84 CYP2D6 (0.51) CYP2D6CHRM3CHRNA7BCHEACHE
SCHEMBL7824078 0.81 CYP2D6 (0.67) CYP2D6CHRM3CHRNA7BCHEACHE
SCHEMBL15147390 0.81 CYP2D6 (0.67) CYP2D6CHRM3CHRNA7BCHEACHE
SCHEMBL7824082 0.81 CYP2D6 (0.67) CYP2D6CHRM3CHRNA7BCHEACHE
SCHEMBL5741549 0.81 CHRM3 (0.66) CYP2D6CHRM3CHRNA7BCHEACHE
SCHEMBL17294779 0.80 CHRM3 (0.64) CYP2D6CHRM3CHRNA7BCHEACHE
SCHEMBL231103 0.80 CHRM3 (0.64) CYP2D6CHRM3CHRNA7BCHEACHE
SCHEMBL17294693 0.80 CHRM3 (0.64) CYP2D6CHRM3CHRNA7BCHEACHE
SCHEMBL17294695 0.80 CHRM3 (0.64) CYP2D6CHRM3CHRNA7BCHEACHE

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-9145409-B2 Benzhydryl derivatives CHIESI FARMACEUTICI S.P.A (IT) 2015-09-29 US disclosed
US-20150158857-A1 BENZHYDRYL DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-11 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-20150158857-A1 BENZHYDRYL DERIVATIVES PDE4A, PDE4B, PDE3A CYP2D6 801/4885CHRM3 10/4885CHRNA7 123/4885

“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.