SCHEMBL10198

SCHEMBL10198

COc1ccc(N2CCC3(CCC(OCc4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
OPRL1 P41146 2/20 0.44
EGLN1 Q9GZT9 2/20 0.44
LIPE Q05469 9/20 0.44
SIGMAR1 Q99720 3/20 0.43
DPP4 P27487 1/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PRKDC P78527 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL1588789 1.00 OPRM1 (0.44) OPRM1OPRL1EGLN1LIPESIGMAR1
SCHEMBL10199 1.00 OPRM1 (0.44) OPRM1OPRL1EGLN1LIPESIGMAR1
SCHEMBL13522 0.88 EGLN1 (0.49) OPRM1OPRL1EGLN1LIPESIGMAR1
SCHEMBL1589238 0.88 EGLN1 (0.49) OPRM1OPRL1EGLN1LIPESIGMAR1
SCHEMBL13521 0.88 EGLN1 (0.49) OPRM1OPRL1EGLN1LIPESIGMAR1
SCHEMBL1589502 0.86 LIPE (0.56) LIPECARM1PRMT6
SCHEMBL12701929 0.86 LIPE (0.56) LIPECARM1PRMT6
SCHEMBL1589501 0.86 LIPE (0.56) LIPECARM1PRMT6
SCHEMBL1589331 0.84 EGLN1 (0.44) EGLN1LIPEMEN1KMT2A
SCHEMBL10270 0.84 EGLN1 (0.44) EGLN1LIPEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US claimed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP claimed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US claimed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO claimed
EP-2488493-B1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 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-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE OPRM1 4101/4885OPRL1 481/4885EGLN1 815/4885

“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.