SCHEMBL2150062

SCHEMBL2150062

COc1ccc(-n2nc(C3(O)CCC(=O)CC3)cc2-c2ccc(C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 8/20 0.48
▸ PTGS2 P35354 2/20 0.46
▸ RPA1 P27694 1/20 0.45
▸ PTGS1 P23219 1/20 0.45

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
SCHEMBL12177047 1.00 CCKAR (0.48) CCKARPTGS2RPA1PTGS1
SCHEMBL2150823 0.96 PTGS2 (0.48) CCKARPTGS2RPA1PTGS1
SCHEMBL18292062 0.94 CCKAR (0.47) CCKARPTGS2RPA1PTGS1
SCHEMBL11988400 0.92 PTGS2 (0.46) PTGS2RPA1PTGS1
SCHEMBL16015756 0.92 RPA1 (0.45) CCKARPTGS2RPA1PTGS1
SCHEMBL12177044 0.91 MALT1 (0.54) CCKARPTGS2RPA1PTGS1
SCHEMBL2150077 0.91 MALT1 (0.54) CCKARPTGS2RPA1PTGS1
SCHEMBL11988923 0.91 PTGS2 (0.50) PTGS2RPA1PTGS1
SCHEMBL11988928 0.91 PTGS2 (0.50) PTGS2RPA1PTGS1
SCHEMBL12177048 0.90 RPA1 (0.51) CCKARPTGS2RPA1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170231960-A1 METHODS OF TREATING OR PREVENTING MULTIPLE SCLEROSIS TORAY INDUSTRIES, INC. (JP) 2017-08-17 — — US disclosed
US-9226924-B2 Methods of treating or preventing neuropathic pain TORAY INDUSTRIES, INC. (JP) 2016-01-05 — — US disclosed
EP-2565184-B1 THERAPEUTIC AGENT AND PREVENTATIVE AGENT FOR ALZHEIMER'S DISEASE TORAY INDUSTRIES (JP) 2015-12-30 — — EP disclosed
EP-2565184-B1 THERAPEUTIC AGENT AND PREVENTATIVE AGENT FOR ALZHEIMER'S DISEASE TORAY INDUSTRIES (JP) 2015-12-30 — — EP disclosed
EP-2554541-B1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR FIBROMYALGIA TORAY INDUSTRIES (JP) 2015-12-09 — — EP disclosed
EP-2554541-B1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR FIBROMYALGIA TORAY INDUSTRIES (JP) 2015-12-09 — — EP disclosed
US-20150105430-A1 METHODS OF TREATING OR PREVENTING NEUROPATHIC PAIN TORAY INDUSTREIS INC (JP) 2015-04-16 — — US disclosed
US-8957094-B2 Therapeutic agent or prophylactic agent for fibromyalgia TORAY INDUSTRIES, INC. (JP) 2015-02-17 — — US disclosed
US-8957094-B2 Therapeutic agent or prophylactic agent for fibromyalgia TORAY INDUSTRIES, INC. (JP) 2015-02-17 — — US disclosed
EP-2341047-B1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2014-10-15 — — EP disclosed
US-20120270906-A1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2012-10-25 — — US disclosed
US-8247569-B2 Cyclohexane derivative and pharmaceutical use thereof TORAY INDUSTRIES, INC. (JP) 2012-08-21 — — US disclosed
US-8247569-B2 Cyclohexane derivative and pharmaceutical use thereof TORAY INDUSTRIES, INC. (JP) 2012-08-21 — — US disclosed
US-8247569-B2 Cyclohexane derivative and pharmaceutical use thereof TORAY INDUSTRIES, INC. (JP) 2012-08-21 — — US disclosed
US-20110201650-A1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2011-08-18 — — US disclosed
US-20110201650-A1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2011-08-18 — — US disclosed
US-20110201650-A1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2011-08-18 — — US disclosed
EP-2341047-A1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2011-07-06 — — EP disclosed
EP-2341047-A1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2011-07-06 — — EP disclosed
WO-2010050577-A1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF 東レ株式会社 (JP) 2010-05-06 — — 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 (4 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-20120270906-A1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF CNR2, CNR1, TRPV1 CCKAR 31/4885PTGS2 238/4885RPA1 4811/4885
US-20170231960-A1 METHODS OF TREATING OR PREVENTING MULTIPLE SCLEROSIS MSR1, C5, MGMT CCKAR 1390/4885PTGS2 1530/4885RPA1 4516/4885
US-20110201650-A1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF CNR2, TRPV1, OPRL1 CCKAR 55/4885PTGS2 93/4885RPA1 4717/4885
US-20150105430-A1 METHODS OF TREATING OR PREVENTING NEUROPATHIC PAIN CACNB2, CACNG2, SCN2A CCKAR 413/4885PTGS2 125/4885RPA1 4790/4885

“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.

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