SCHEMBL910706

SCHEMBL910706

COC1CCC([C]=O)CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.30

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
SCHEMBL1921188 0.85
SCHEMBL4847 0.76
SCHEMBL6901393 0.76
SCHEMBL11241847 0.76
SCHEMBL18773606 0.76 EPHX2 (0.33) EPHX2
SCHEMBL9393516 0.76 EPHX2 (0.33) EPHX2
SCHEMBL29700 0.76
SCHEMBL4456910 0.76 EPHX2 (0.33) EPHX2
SCHEMBL750102 0.76
SCHEMBL24394262 0.74

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522669-B1 3-Spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-12-28 EP claimed
EP-2522669-A1 3-Spirocyclic indolyl derivatives useful as ORL-1 receptor modulators Janssen Pharmaceutica NV (BE) 2012-11-14 EP claimed
EP-1890696-A2 NOVEL 3-SPIROCYCLIC INDOLYL DERIVATIVES USEFUL AS ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-27 EP claimed
US-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-17 US claimed
WO-2006130416-A2 NOVEL 3-SPIROCYCLIC INDOLYL DERIVATIVES USEFUL AS ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 WO claimed
EP-2522669-B1 3-Spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-12-28 EP disclosed
EP-2522669-A1 3-Spirocyclic indolyl derivatives useful as ORL-1 receptor modulators Janssen Pharmaceutica NV (BE) 2012-11-14 EP disclosed
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2255780-A1 PARAKERATOSIS INHIBITOR, PORE SHRINKING AGENT OR AGENT FOR PREVENTING OR IMPROVING ROUGH SKIN, AND COMPOSITION FOR EXTERNAL USE ON THE SKIN CONTAINING THE SAME Shiseido Company, Ltd. (JP) 2010-12-01 EP disclosed
US-7655670-B2 1-((tetrahydropyran-2-yl)oxy-ethyl)-5-tert-butoxycarbonyl-spiro[indoline-3,4'-piperidin]-2-one; ORL-1 (orphan opioid receptor) G-protein coupled receptor; brain, psychological disorders JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-02 US disclosed
EP-1890696-A2 NOVEL 3-SPIROCYCLIC INDOLYL DERIVATIVES USEFUL AS ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-27 EP disclosed
US-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-17 US disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180897-B1 5-FLUOROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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 (2 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-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators OXER1, OGFRL1, NR1H2 EPHX2 4008/4885
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 EPHX2 4857/4885

“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.