SCHEMBL1702895

SCHEMBL1702895

O=C1CCC(c2cccs2)(N2CCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
PRCP P42785 1/20 0.67
SLC6A9 P48067 4/20 0.46
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
SLC6A2 P23975 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
KCNA3 P22001 1/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35

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
SCHEMBL1742361 0.80 SIGMAR1 (1.00) SIGMAR1MEN1KMT2APRCPSLC6A9
Tenocyclidine SCHEMBL517558 0.80 SIGMAR1 (1.00) SIGMAR1MEN1KMT2APRCPSLC6A9
Tenocyclidine SCHEMBL7204633 0.79 SIGMAR1 (0.97) SIGMAR1MEN1KMT2APRCPSLC6A9
SCHEMBL7701615 0.76 SIGMAR1 (0.79) SIGMAR1MEN1KMT2APRCPSLC6A9
SCHEMBL1703317 0.76 SIGMAR1 (0.63) SIGMAR1MEN1KMT2APRCPSLC6A9
SCHEMBL17438836 0.76 MEN1 (0.55) SIGMAR1MEN1KMT2APRCPSLC6A9
SCHEMBL7695403 0.75 SIGMAR1 (0.77) SIGMAR1MEN1KMT2APRCPSLC6A9
SCHEMBL733277 0.73 GRIN1 (0.62) SIGMAR1MEN1KMT2APRCPSLC6A9
SCHEMBL17438595 0.73 MEN1 (0.48) SIGMAR1MEN1KMT2APRCPSLC6A9
Rolicyclidine SCHEMBL15476513 0.73 SIGMAR1 (0.82) SIGMAR1MEN1KMT2APRCPSLC6A9

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 WO disclosed
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2016-01-21 US disclosed
WO-2016008583-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 WO disclosed
EP-2121691-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-04-18 EP disclosed
US-7960404-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2011-06-14 US disclosed
US-20100048553-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 US disclosed
EP-2121691-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-11-25 EP disclosed
WO-2008101660-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2008-08-28 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-10202345-B2 Substituted azaspiro(4.5)decane derivatives OPRL1, OPRD1, OPRM1 SIGMAR1 9/4885MEN1 4038/4885KMT2A 3209/4885
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 SIGMAR1 9/4885MEN1 4070/4885KMT2A 2875/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 SIGMAR1 9/4885MEN1 4038/4885KMT2A 3209/4885
US-20100048553-A1 Spirocyclic Cyclohexane Compounds PKD2, PKD1, RYR1 SIGMAR1 220/4885MEN1 1654/4885KMT2A 3278/4885

“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.