SCHEMBL17444047

SCHEMBL17444047

O=C(/C=C/c1ccccc1)N1CCC2(CCC(c3cccs3)(N3CCC3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
PRCP P42785 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
BCHE P06276 1/20 0.39
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 1/20 0.38
GRM5 P41594 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.37

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
SCHEMBL17443974 1.00 MEN1 (0.48) MEN1KMT2APRCPSIGMAR1POLB
SCHEMBL17443973 1.00 MEN1 (0.48) MEN1KMT2APRCPSIGMAR1POLB
SCHEMBL17443960 0.85 MEN1 (0.54) MEN1KMT2APRCPSIGMAR1POLB
SCHEMBL17444010 0.85 MEN1 (0.54) MEN1KMT2APRCPSIGMAR1POLB
SCHEMBL17443959 0.85 MEN1 (0.54) MEN1KMT2APRCPSIGMAR1POLB
SCHEMBL17444349 0.83 MEN1 (0.49) MEN1KMT2APRCPSIGMAR1ALDH1A1
SCHEMBL19137915 0.82 OPRM1 (0.50) MEN1KMT2APOLBRAB9ALMNA
SCHEMBL17444035 0.82 OPRM1 (0.50) MEN1KMT2APOLBRAB9ALMNA
SCHEMBL17444034 0.82 OPRM1 (0.50) MEN1KMT2APOLBRAB9ALMNA
SCHEMBL17438809 0.77 OPRM1 (0.53) MEN1KMT2APRCPSIGMAR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 EP claimed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US claimed
EP-3169666-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 EP claimed
WO-2016008582-A1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 WO claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 MEN1 4070/4885KMT2A 2875/4885PRCP 3207/4885

“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.