SCHEMBL736108

SCHEMBL736108

OCCOCc1nccs1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
GRM5 P41594 1/20 0.40
FDPS P14324 1/20 0.40
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 2/20 0.33
SLC6A3 Q01959 2/20 0.33
GALR3 O60755 1/20 0.33
LTA4H P09960 1/20 0.33
ACACB O00763 1/20 0.33
PKM P14618 1/20 0.33
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
S1PR1 P21453 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
SCHEMBL12853977 0.78
SCHEMBL737429 0.73 DUT (0.39) CHRM2CHRM1CHRM3GRM5FDPS
SCHEMBL841789 0.73
SCHEMBL6912136 0.73
SCHEMBL167744 0.72
SCHEMBL27793841 0.72 MEN1 (0.41) CHRM2CHRM1CHRM3ALDH1A1TSHR
SCHEMBL2608883 0.72 CHRM2 (0.40) CHRM2CHRM1CHRM3GRM5FDPS
SCHEMBL15662084 0.71
SCHEMBL9933615 0.71
Hydrochloric Acid SCHEMBL3939821 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138340-B2 Bicyclononene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-20 US disclosed
EP-1786814-B1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2010-03-31 EP disclosed
US-20090306123-A1 Bicyclononene derivaties ACTELION PHARMACEUTICALS LTD. (CH) 2009-12-10 US disclosed
EP-1786814-A1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2007-05-23 EP disclosed
WO-2006092268-A1 BICYCLIC FIVE-MEMBERED HETEROARYL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-08 WO disclosed
WO-2006021402-A1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2006-03-02 WO 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-20090306123-A1 Bicyclononene derivaties REN, ACE, CYP51A1 CHRM2 2876/4885CHRM1 2220/4885CHRM3 2401/4885

“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.