SCHEMBL17439081

SCHEMBL17439081

CC(C)CN1CCC2(CCC(C3CCCC3)(N(C)C)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
OPRL1 P41146 2/20 0.52
CYP3A4 P08684 15/20 0.40
USP2 O75604 9/20 0.40
TSHR P16473 5/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 12/20 0.39
CYP1A2 P05177 5/20 0.39
ALOX15 P16050 1/20 0.38
CXCR4 P61073 1/20 0.38
CYP2C9 P11712 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL17438807 0.87 OPRM1 (0.51) OPRM1OPRL1CYP3A4USP2TSHR
SCHEMBL17438830 0.86 OPRM1 (0.50) OPRM1OPRL1CYP3A4USP2TSHR
SCHEMBL17439144 0.82 OPRM1 (0.60) OPRM1OPRL1
SCHEMBL17439140 0.81 OPRM1 (0.55) OPRM1OPRL1
SCHEMBL17438827 0.80 OPRM1 (0.57) OPRM1OPRL1ALOX15
SCHEMBL17439143 0.80 OPRM1 (0.51) OPRM1OPRL1ALOX15
SCHEMBL18212474 0.78 CYP2D6 (0.52) CYP3A4USP2TSHRCYP2C19CYP2D6
SCHEMBL17439124 0.77 OPRM1 (0.52) OPRM1OPRL1
SCHEMBL17444288 0.76 CYP2D6 (0.50) OPRM1OPRL1CYP3A4USP2TSHR
SCHEMBL17438752 0.76 OPRM1 (0.48) OPRM1OPRL1ALOX15

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 5 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

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

For each of this compound's patents that has machine-readable text (2 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 OPRM1 3/4885OPRL1 1/4885CYP3A4 492/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885CYP3A4 492/4885

“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.