SCHEMBL4889902

SCHEMBL4889902

CN1C2C=CC1CC(OC(=O)Cc1cccc(C3CCCC3)c1O)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP19A1 P11511 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
NAAA Q02083 1/20 0.33
P2RX3 P56373 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CHRM2 P08172 3/20 0.32
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4161374 0.82 CHRM4 (0.44) ALDH1A1CHRM1CHRM3SMN1; SMN2CHRM5
SCHEMBL1697177 0.82 CHRM4 (0.44) ALDH1A1CHRM1CHRM3SMN1; SMN2CHRM5
SCHEMBL5385059 0.81 CHRM4 (0.43) ALDH1A1CHRM1CHRM3SMN1; SMN2CHRM5
SCHEMBL23358779 0.80 CHRM3 (0.41) ALDH1A1KDM4EHPGDHSD17B10CYP19A1
SCHEMBL20476348 0.79 KDM4E (0.41) ALDH1A1KDM4EHPGDHSD17B10CYP19A1
SCHEMBL2340421 0.79 CHRM3 (0.42) ALDH1A1KDM4EHPGDHSD17B10CYP19A1
SCHEMBL1707214 0.79 CHRM3 (0.42) ALDH1A1KDM4EHPGDHSD17B10CYP19A1
SCHEMBL5473748 0.79 CHRM3 (0.42) ALDH1A1KDM4EHPGDHSD17B10CYP19A1
Bromide SCHEMBL1996228 0.78 CHRM3 (0.43) ALDH1A1KDM4EHPGDHSD17B10CYP19A1
Bromide SCHEMBL417945 0.78 CHRM3 (0.43) ALDH1A1KDM4EHPGDHSD17B10CYP19A1

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-20080027094-A1 Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 US disclosed
EP-1785421-A1 TROPAN COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP 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-20080027094-A1 Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient CHRM1, CHRM3, CHRM2 ALDH1A1 1749/4885KDM4E 4509/4885HPGD 1304/4885

“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.