SCHEMBL20724940

SCHEMBL20724940

N#CC1(CC(=O)S)CCC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
P2RX7 Q99572 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2807409 0.80 HSD11B1 (0.41) OPRM1OPRL1ALDH1A1
SCHEMBL17446960 0.78 OPRM1 (0.36) OPRM1OPRL1ALDH1A1
SCHEMBL2805815 0.76 CYP2C19 (0.45) OPRM1OPRL1P2RX7ALDH1A1
SCHEMBL3495245 0.74 CYP2C19 (0.48) OPRM1OPRL1P2RX7ALDH1A1
SCHEMBL840651 0.74 CYP2C19 (0.48) OPRM1OPRL1P2RX7ALDH1A1
SCHEMBL14744077 0.74 MCL1 (0.36) OPRM1OPRL1P2RX7ALDH1A1
SCHEMBL17445686 0.74 DPP4 (0.43) OPRM1OPRL1
SCHEMBL29124603 0.74 TSHR (0.37) OPRM1OPRL1ALDH1A1
SCHEMBL5692544 0.72 ALDH1A1 (0.38) OPRM1OPRL1P2RX7ALDH1A1
SCHEMBL3909670 0.72 CYP2C19 (0.47) OPRM1OPRL1P2RX7ALDH1A1

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 1 patent. 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

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 1/4885P2RX7 224/4885

“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.