SCHEMBL697114

SCHEMBL697114

O=COC1(c2ccc(F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A3 Q01959 3/20 0.36
HSD11B1 P28845 3/20 0.36
DAO P14920 1/20 0.34
APP P05067 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
OPRM1 P35372 1/20 0.33
RORC P51449 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
SCHEMBL5276713 0.92 SLC6A3 (0.42) MAOBMAOASLC6A3HSD11B1SLC6A4
SCHEMBL1807152 0.90 SLC6A3 (0.44) SLC6A3HSD11B1SLC6A4SLC6A2RORC
SCHEMBL16322010 0.81 CYP2A6 (0.35) MAOBMAOAHSD11B1OPRM1
SCHEMBL5642733 0.79 OPRM1 (0.33) OPRM1
SCHEMBL75311 0.79 HSD17B10 (0.38) MAOBMAOASLC6A3HSD11B1SLC6A4
SCHEMBL6583308 0.79 CYP2A6 (0.38) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL348386 0.78 MEN1 (0.39) MAOBMAOACYP2C9OPRM1
SCHEMBL1898153 0.76 ALDH1A1 (0.45) MAOBMAOASLC6A3SLC6A4OPRM1
SCHEMBL11878550 0.76 SLC6A2 (0.40) SLC6A3SLC6A4SLC6A2
SCHEMBL4554666 0.76 SLC6A4 (0.44) MAOBSLC6A3SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 MAOB 1514/4885MAOA 2720/4885SLC6A3 1543/4885

“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.