SCHEMBL17443535

SCHEMBL17443535

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

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.74
OPRL1 P41146 8/20 0.74
OPRK1 P41145 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 5/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL17438818 0.85 OPRM1 (1.00) OPRM1OPRL1OPRK1SMN1; SMN2CYP2D6
SCHEMBL17443952 0.83 OPRM1 (0.73) OPRM1OPRL1OPRK1CYP2D6CYP3A4
SCHEMBL17438592 0.82 OPRM1 (0.58) OPRM1OPRL1CYP2D6ITGB3ITGA2B
SCHEMBL17438976 0.81 OPRM1 (1.00) OPRM1OPRL1OPRK1
SCHEMBL19137914 0.80 OPRM1 (0.71) OPRM1OPRL1OPRK1RAB9ASMN1; SMN2
SCHEMBL17444023 0.80 OPRM1 (0.71) OPRM1OPRL1OPRK1RAB9ASMN1; SMN2
SCHEMBL17444025 0.80 OPRM1 (0.71) OPRM1OPRL1OPRK1RAB9ASMN1; SMN2
SCHEMBL17439091 0.77 OPRM1 (0.70) OPRM1OPRL1OPRK1CYP2D6TSHR
SCHEMBL17439114 0.75 OPRM1 (0.54) OPRM1OPRL1ITGB3ITGA2B
SCHEMBL17438671 0.75 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 3 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-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 EP 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 (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-10202345-B2 Substituted azaspiro(4.5)decane derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885OPRK1 5/4885

“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.