SCHEMBL17438818

SCHEMBL17438818

CC(=O)N1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 1.00
OPRL1 P41146 5/20 1.00
CYP2D6 P10635 5/20 0.54
CYP3A4 P08684 6/20 0.53
TSHR P16473 2/20 0.53
CYP2C19 P33261 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 2/20 0.52
HIF1A Q16665 2/20 0.51
USP2 O75604 5/20 0.50
OPRK1 P41145 1/20 0.48
CYP1A2 P05177 4/20 0.47
CYP2C9 P11712 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RORC P51449 2/20 0.47

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
SCHEMBL17443535 0.85 OPRM1 (0.74) OPRM1OPRL1CYP2D6CYP3A4TSHR
SCHEMBL17443952 0.84 OPRM1 (0.73) OPRM1OPRL1CYP2D6CYP3A4ALDH1A1
SCHEMBL17444025 0.83 OPRM1 (0.71) OPRM1OPRL1OPRK1MEN1KMT2A
SCHEMBL17444023 0.83 OPRM1 (0.71) OPRM1OPRL1OPRK1MEN1KMT2A
SCHEMBL19137914 0.83 OPRM1 (0.71) OPRM1OPRL1OPRK1MEN1KMT2A
SCHEMBL17439091 0.81 OPRM1 (0.70) OPRM1OPRL1CYP2D6CYP3A4TSHR
SCHEMBL17444305 0.77 OPRM1 (0.73) OPRM1OPRL1CYP2D6CYP3A4TSHR
SCHEMBL17439016 0.77 OPRM1 (0.71) OPRM1OPRL1CYP2D6CYP3A4TSHR
SCHEMBL14601364 0.75 OPRM1 (0.76) OPRM1OPRL1TSHRALDH1A1OPRK1
SCHEMBL17438671 0.73 OPRM1 (1.00) OPRM1OPRL1OPRK1

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 10 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
US-10202345-B2 Substituted azaspiro(4.5)decane derivatives GRUENENTHAL GMBH (DE) 2019-02-12 US disclosed
EP-3169665-B1 SUBSTITUTED AZA-SPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-05-09 EP disclosed
EP-3169665-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-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-2016008583-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-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 (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 1/4885CYP2D6 715/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885CYP2D6 715/4885

“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.