SCHEMBL743693

SCHEMBL743693

O=C1CCC(c2ccccc2)(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 1.00
CYP2C9 P11712 1/20 1.00
KMT2A Q03164 1/20 1.00
OPRM1 P35372 4/20 0.52
DAO P14920 1/20 0.47
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
GRIN1 Q05586 1/20 0.44
KCNH2 Q12809 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTR2A P28223 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 2/20 0.42

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
SCHEMBL29896347 0.98 MEN1 (0.95) MEN1CYP2C9KMT2AOPRM1DAO
Methyl Alcohol SCHEMBL27817355 0.94 MEN1 (0.88) MEN1CYP2C9KMT2AOPRM1DAO
SCHEMBL14679680 0.88 MEN1 (0.78) MEN1CYP2C9KMT2AOPRM1DAO
SCHEMBL11569214 0.86 MEN1 (0.76) MEN1CYP2C9KMT2AOPRM1DAO
SCHEMBL30144664 0.83 MEN1 (0.70) MEN1CYP2C9KMT2AOPRM1ALDH1A1
SCHEMBL31108372 0.83 MEN1 (0.70) MEN1CYP2C9KMT2AOPRM1ALDH1A1
SCHEMBL2256573 0.79 OPRM1 (0.67) MEN1CYP2C9KMT2AOPRM1DAO
SCHEMBL2256575 0.79 OPRM1 (0.67) MEN1CYP2C9KMT2AOPRM1DAO
SCHEMBL614021 0.77 MEN1 (0.63) MEN1CYP2C9KMT2A
SCHEMBL12920581 0.77 MEN1 (0.63) MEN1CYP2C9KMT2AOPRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197919-A1 3-(Carboxyethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-9487693-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2016-11-08 US disclosed
US-9487693-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2016-11-08 US disclosed
US-9487693-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2016-11-08 US disclosed
EP-2725017-B1 CHROMENE COMPOUND TOKUYAMA CORP (JP) 2016-06-29 EP disclosed
US-20140154527-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2014-06-05 US disclosed
US-20140154527-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2014-06-05 US disclosed
US-20140154527-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2014-06-05 US disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
US-5053432-A Antiprotozoa agents; treatment of malaria BURROUGHS WELLCOME CO. (US) 1991-10-01 US disclosed
EP-0445749-A1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-11 EP disclosed
EP-0430771-A1 Isoindolone derivatives, their preparation and their use as intermediates for the preparation of substance P antagonists RHONE-POULENC SANTE (FR) 1991-06-05 EP disclosed
US-4711896-A ANTIDIABETIC, ANTILIPEMIC AGENTS EPIS S.A. (CH) 1987-12-08 US disclosed
US-4689344-A ANTICHOLESTEROL AGENTS EPIS S.A. (CH) 1987-08-25 US disclosed
EP-0123238-B1 NAPHTHOQUINONE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1987-06-10 EP disclosed
EP-0185080-A1 EPIS SA 1986-06-25 EP disclosed
WO-1986000298-A1 ALPHA-, OMEGA-DICARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND MEDICINES COMPOSED THEREOF EPIS S.A. (CH) 1986-01-16 WO disclosed
EP-0123238-A2 Naphthoquinone derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-10-31 EP disclosed
US-4187152-A Extractive distillation for separating ketones and/or alcohols from phenol and/or cresol ALLIED CHEMICAL CORPORATION (US) 1980-02-05 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-20170197919-A1 3-(Carboxyethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD1 MEN1 2930/4885CYP2C9 1884/4885KMT2A 2071/4885

“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.