SCHEMBL17438595

SCHEMBL17438595

CCOC(=O)C=C1CCC(c2cccs2)(N2CCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
PRCP P42785 1/20 0.48
KMT2A Q03164 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
SLC6A9 P48067 2/20 0.40
ESR2 Q92731 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 1/20 0.37
RECQL P46063 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.35
BRD4 O60885 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL17438882 0.82 SLC6A4 (0.43) PRCPSIGMAR1ESR2ALDH1A1OPRM1
SCHEMBL17438643 0.81 OPRM1 (0.46) ESR2SMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL1702895 0.73 SIGMAR1 (0.67) MEN1PRCPKMT2ASIGMAR1SLC6A9
SCHEMBL17438726 0.72 MEN1 (0.44) MEN1PRCPKMT2ASIGMAR1SLC6A9
Tenocyclidine SCHEMBL28321720 0.69 SIGMAR1 (0.68) MEN1PRCPKMT2ASIGMAR1SLC6A9
SCHEMBL24791077 0.67 ESR2 (0.47) ESR2SMN1; SMN2HSD17B10RECQLKDM4E
Tenocyclidine SCHEMBL517558 0.67 SIGMAR1 (1.00) MEN1PRCPKMT2ASIGMAR1SLC6A9
SCHEMBL1742361 0.67 SIGMAR1 (1.00) MEN1PRCPKMT2ASIGMAR1SLC6A9
SCHEMBL15798242 0.67 ESR2 (0.49) MEN1KMT2AESR2SMN1; SMN2HSD17B10
SCHEMBL17438809 0.67 OPRM1 (0.53) 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 6 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
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
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.