SCHEMBL17438697

SCHEMBL17438697

c1csc(C2(N3CCC3)CCC3(CCNC3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
PRCP P42785 1/20 0.58
KMT2A Q03164 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
SLC6A9 P48067 4/20 0.42
CYP11B1 P15538 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KCNH2 Q12809 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
SLC6A2 P23975 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP2D6 P10635 3/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL17444091 0.84 KMT2A (0.42) MEN1PRCPKMT2ASIGMAR1SLC6A9
SCHEMBL17438836 0.78 MEN1 (0.55) MEN1PRCPKMT2ASIGMAR1SLC6A9
SCHEMBL17438515 0.77 SIGMAR1 (0.54) PRCPSIGMAR1SLC6A9CYP11B1KCNH2
SCHEMBL1742361 0.75 SIGMAR1 (1.00) MEN1PRCPKMT2ASIGMAR1SLC6A9
Tenocyclidine SCHEMBL517558 0.75 SIGMAR1 (1.00) MEN1PRCPKMT2ASIGMAR1SLC6A9
SCHEMBL1703317 0.73 SIGMAR1 (0.63) MEN1PRCPKMT2ASIGMAR1SLC6A9
SCHEMBL17438824 0.73 OPRM1 (0.57) OPRM1OPRL1
Tenocyclidine SCHEMBL7204633 0.73 SIGMAR1 (0.97) MEN1PRCPKMT2ASIGMAR1SLC6A9
SCHEMBL1702895 0.73 SIGMAR1 (0.67) MEN1PRCPKMT2ASIGMAR1SLC6A9
SCHEMBL7701615 0.71 SIGMAR1 (0.79) MEN1PRCPKMT2ASIGMAR1SLC6A9

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 claimed
EP-3169665-B1 SUBSTITUTED AZA-SPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-05-09 EP claimed
EP-3169665-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 EP claimed
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2016-01-21 US claimed
WO-2016008583-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 WO claimed
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-3169666-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 EP disclosed
EP-3169665-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 EP disclosed
WO-2016008583-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-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-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 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 (3 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 MEN1 4038/4885PRCP 3150/4885KMT2A 3209/4885
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 MEN1 4070/4885PRCP 3207/4885KMT2A 2875/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 MEN1 4038/4885PRCP 3150/4885KMT2A 3209/4885

“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.