SCHEMBL17439006

SCHEMBL17439006

CN(C)C1(c2ccc(F)s2)CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.45
CYP11B2 P19099 1/20 0.45
SCD5 Q86SK9 1/20 0.43
HDAC1 Q13547 1/20 0.41
ACACB O00763 3/20 0.40
GPR183 P32249 1/20 0.40
OPRM1 P35372 4/20 0.40
OPRL1 P41146 4/20 0.40
USP30 Q70CQ3 1/20 0.40
PARP1 P09874 4/20 0.39
TNKS O95271 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
RORC P51449 2/20 0.37
SPR P35270 1/20 0.36

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
SCHEMBL17438723 0.84 OPRM1 (0.52) HDAC2CYP11B2SCD5HDAC1ACACB
SCHEMBL17443488 0.83 OPRM1 (0.35) HDAC2OPRM1OPRL1
SCHEMBL17438955 0.82 OPRM1 (0.46) OPRM1OPRL1
SCHEMBL17438531 0.81 OPRM1 (0.39) OPRM1OPRL1USP30
SCHEMBL17438678 0.81 OPRM1 (0.40) OPRM1OPRL1RORCSPR
SCHEMBL17438745 0.80 OPRM1 (0.64) OPRM1OPRL1
SCHEMBL17444003 0.80 OPRM1 (0.47) OPRM1OPRL1
SCHEMBL17439156 0.79 OPRM1 (0.39) OPRM1OPRL1RORCSPR
SCHEMBL13333844 0.77 OPRM1 (0.48) HDAC2CYP11B2SCD5HDAC1OPRM1
SCHEMBL17443863 0.76 OPRM1 (0.44) GPR183OPRM1OPRL1

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 HDAC2 1264/4885CYP11B2 501/4885SCD5 2464/4885
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 HDAC2 964/4885CYP11B2 425/4885SCD5 2433/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 HDAC2 1264/4885CYP11B2 501/4885SCD5 2464/4885

“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.