SCHEMBL17438726

SCHEMBL17438726

CCOC(=O)CC1(C[N+](=O)[O-])CCC(c2cccs2)(N2CCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
PRCP P42785 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SLC6A9 P48067 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
BRD4 O60885 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL17438591 0.84 GAA (0.40) PRCPSIGMAR1
SCHEMBL17438792 0.83 OPRM1 (0.44) MEN1KMT2AHSD17B10KDM4EALDH1A1
Nitromethane SCHEMBL17444022 0.82 GAA (0.39) PRCPSIGMAR1
SCHEMBL17137456 0.74 GAA (0.39) MEN1KMT2ASMN1; SMN2HSD17B10KDM4E
SCHEMBL17438595 0.72 MEN1 (0.48) MEN1PRCPKMT2ASIGMAR1SLC6A9
SCHEMBL5692021 0.72 GAA (0.36) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6013401 0.72 GAA (0.36) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL5968723 0.70 KDM4E (0.36) KMT2ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL12658990 0.70 OPRM1 (0.39) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL28839443 0.69 KMT2A (0.37) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

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
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

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.