Sugi Predict

Sugi Predict / Compounds / SCHEMBL733277

SCHEMBL733277

SCHEMBL733277

O=C1CCC(c2ccccc2)(N2CCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 5/20 0.62
▸ GRIN2A Q12879 5/20 0.62
▸ SIGMAR1 Q99720 2/20 0.62
▸ GRIN2B Q13224 2/20 0.62
▸ GRIN2D O15399 1/20 0.62
▸ GRIN3B O60391 1/20 0.62
▸ CYP2B6 P20813 1/20 0.62
▸ SLC6A2 P23975 1/20 0.62
▸ SLC6A4 P31645 1/20 0.62
▸ PRCP P42785 1/20 0.62
▸ SLC6A3 Q01959 1/20 0.62
▸ KCNH2 Q12809 1/20 0.62
▸ GRIN2C Q14957 1/20 0.62
▸ GRIN3A Q8TCU5 1/20 0.62
▸ OPRM1 P35372 5/20 0.61
▸ OPRD1 P41143 1/20 0.61
▸ MEN1 O00255 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SLC6A9 P48067 5/20 0.46

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
SCHEMBL2203974 0.96 GRIN1 (0.68) GRIN1GRIN2ASIGMAR1GRIN2BGRIN2D
SCHEMBL9431836 0.95 GRIN1 (0.71) GRIN1GRIN2ASIGMAR1GRIN2BGRIN2D
Ethylene SCHEMBL11093647 0.93 GRIN1 (0.64) GRIN1GRIN2ASIGMAR1GRIN2BGRIN2D
SCHEMBL7490969 0.86 SIGMAR1 (0.68) GRIN1GRIN2ASIGMAR1GRIN2BGRIN2D
SCHEMBL7493886 0.85 SIGMAR1 (0.56) GRIN1GRIN2ASIGMAR1GRIN2BGRIN2D
SCHEMBL734607 0.85 SIGMAR1 (0.49) GRIN1GRIN2ASIGMAR1GRIN2BGRIN2D
SCHEMBL30364176 0.85 SIGMAR1 (0.77) GRIN1GRIN2ASIGMAR1GRIN2BGRIN2D
SCHEMBL7489860 0.84 GRIN1 (0.71) GRIN1GRIN2ASIGMAR1GRIN2BGRIN2D
SCHEMBL7493298 0.84 GRIN1 (0.71) GRIN1GRIN2ASIGMAR1GRIN2BGRIN2D
SCHEMBL7095191 0.84 GRIN1 (0.71) GRIN1GRIN2ASIGMAR1GRIN2BGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020120539-A1 NEW PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-18 — — WO disclosed
US-10202345-B2 Substituted azaspiro(4.5)decane derivatives GRUENENTHAL GMBH (DE) 2019-02-12 — — US disclosed
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 — — EP disclosed
EP-3169665-B1 SUBSTITUTED AZA-SPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-05-09 — — EP disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 — — US disclosed
EP-3169665-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 — — EP disclosed
EP-3169666-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 — — EP disclosed
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2016-01-21 — — US disclosed
WO-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 — — WO disclosed
WO-2016008583-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 — — WO disclosed
WO-2010089084-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2010-08-12 — — WO disclosed
US-20100048553-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 — — US disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 — — US disclosed
EP-2121691-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-11-25 — — EP disclosed
US-20090156593-A1 Spirocyclic Azaindole Derivatives GRUNENTHAL GMBH (DE) 2009-06-18 — — US disclosed
EP-2044016-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2009-04-08 — — EP disclosed
EP-2041142-A1 SPIROCYCLIC AZAINDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-04-01 — — EP disclosed
WO-2008101660-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2008-08-28 — — WO disclosed
WO-2008009416-A1 SPIROCYCLIC AZAINDOLE DERIVATIVES Grünenthal GmbH (DE) 2008-01-24 — — WO disclosed
WO-2008009415-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2008-01-24 — — 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 (6 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-10202345-B2 Substituted azaspiro(4.5)decane derivatives OPRL1, OPRD1, OPRM1 GRIN1 84/4885GRIN2A 132/4885SIGMAR1 9/4885
US-20090156593-A1 Spirocyclic Azaindole Derivatives AZI2, TPMT, AADAC GRIN1 1383/4885GRIN2A 381/4885SIGMAR1 1174/4885
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 GRIN1 4211/4885GRIN2A 2298/4885SIGMAR1 873/4885
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 GRIN1 79/4885GRIN2A 113/4885SIGMAR1 9/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 GRIN1 84/4885GRIN2A 132/4885SIGMAR1 9/4885
US-20100048553-A1 Spirocyclic Cyclohexane Compounds PKD2, PKD1, RYR1 GRIN1 671/4885GRIN2A 532/4885SIGMAR1 220/4885

“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.