SCHEMBL11988282

SCHEMBL11988282

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.46
▸ PTGS1 P23219 3/20 0.46
▸ CCKAR P32238 7/20 0.46
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2149921 1.00 PTGS2 (0.46) PTGS2PTGS1CCKARCYP1A2CYP3A4
SCHEMBL2150807 0.88 CCKAR (0.46) PTGS2PTGS1CCKAR
SCHEMBL11988293 0.88 CCKAR (0.46) PTGS2PTGS1CCKAR
SCHEMBL11988277 0.88 CCKAR (0.46) PTGS2PTGS1CCKAR
SCHEMBL2150519 0.88 CCKAR (0.46) PTGS2PTGS1CCKAR
SCHEMBL2150619 0.88 CCKAR (0.46) PTGS2PTGS1CCKAR
SCHEMBL11988284 0.86 CCKAR (0.46) PTGS2PTGS1CCKAR
SCHEMBL11988415 0.85 PTGS2 (0.41) PTGS2PTGS1CYP3A4CYP2C9TSHR
SCHEMBL11928277 0.84 PTGS2 (0.48) PTGS2PTGS1CCKARCYP1A2CYP3A4
SCHEMBL11928275 0.84 PTGS2 (0.48) PTGS2PTGS1CCKARCYP1A2CYP3A4

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 22 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
EP-3100726-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS Toray Industries, Inc. (JP) 2016-12-07 — — EP 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
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-8946267-B2 Therapeutic agent or prophylactic agent for neuropathic pain TORAY INDUSTRIES, INC. (JP) 2015-02-03 — — US disclosed
US-8642625-B2 Therapeutic agent or preventive agent for urine collection disorder TORAY INDUSTRIES, INC. (JP) 2014-02-04 — — US disclosed
US-20130190503-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR FIBROMYALGIA TORAY INDUSTRIES, INC. (JP) 2013-07-25 — — US disclosed
US-20130131120-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR NEUROPATHIC PAIN TORAY INDUSTRIES, INC. (JP) 2013-05-23 — — US disclosed
US-20130041158-A1 THERAPEUTIC AGENT AND PREVENTATIVE AGENT FOR ALZHEIMER'S DISEASE TORAY INDUSTRIES, INC. (JP) 2013-02-14 — — US disclosed
US-20130041157-A1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR URINE COLLECTION DISORDER TORAY INDUSTRIES, INC. (JP) 2013-02-14 — — US 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
WO-2011136318-A1 THERAPEUTIC AGENT AND PREVENTATIVE AGENT FOR ALZHEIMER'S DISEASE 東レ株式会社 (JP) 2011-11-03 — — WO disclosed
WO-2011125836-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR FIBROMYALGIA 東レ株式会社 (JP) 2011-10-13 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20130190503-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR FIBROMYALGIA FAAH, GAP43, FAP PTGS2 198/4885PTGS1 82/4885CCKAR 2441/4885
US-20130131120-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR NEUROPATHIC PAIN CACNG2, TRPV1, CACNB2 PTGS2 139/4885PTGS1 228/4885CCKAR 533/4885
US-20130041157-A1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR URINE COLLECTION DISORDER UROD, SORD, IDUA PTGS2 1550/4885PTGS1 1149/4885CCKAR 2204/4885
US-20120270906-A1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF CNR2, CNR1, TRPV1 PTGS2 238/4885PTGS1 259/4885CCKAR 31/4885
US-20170231960-A1 METHODS OF TREATING OR PREVENTING MULTIPLE SCLEROSIS MSR1, C5, MGMT PTGS2 1530/4885PTGS1 1741/4885CCKAR 1390/4885
US-20130041158-A1 THERAPEUTIC AGENT AND PREVENTATIVE AGENT FOR ALZHEIMER'S DISEASE APP, PSEN1, PSEN2 PTGS2 739/4885PTGS1 476/4885CCKAR 1142/4885
US-20110201650-A1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF CNR2, TRPV1, OPRL1 PTGS2 93/4885PTGS1 89/4885CCKAR 55/4885
US-20150105430-A1 METHODS OF TREATING OR PREVENTING NEUROPATHIC PAIN CACNB2, CACNG2, SCN2A PTGS2 125/4885PTGS1 219/4885CCKAR 413/4885

“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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