SCHEMBL24770748

SCHEMBL24770748

CCOCCCCN(C(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.57
SIGMAR1 Q99720 1/20 0.49
CHRM2 P08172 2/20 0.47
CHRM3 P20309 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACHE P22303 3/20 0.46
KCNH2 Q12809 1/20 0.45
BCHE P06276 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
CCR5 P51681 1/20 0.44

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
SCHEMBL4178459 0.87 CHRM2 (0.51) OPRM1SIGMAR1CHRM2CHRM3ACHE
SCHEMBL28741984 0.87 OPRM1 (0.53) OPRM1SIGMAR1CHRM2CHRM3ACHE
SCHEMBL22966099 0.86 OPRM1 (0.53) OPRM1SIGMAR1CHRM2CHRM3ACHE
SCHEMBL3302635 0.82 OPRM1 (0.53) OPRM1SIGMAR1CHRM2CHRM3ACHE
SCHEMBL9884888 0.82 OPRM1 (0.52) OPRM1SIGMAR1CHRM2CHRM3ACHE
SCHEMBL12347237 0.81 OPRM1 (0.51) OPRM1SIGMAR1CHRM2CHRM3ACHE
SCHEMBL1715453 0.81 HRH3 (0.50) OPRM1CHRM2CHRM3
Hydrochloric Acid SCHEMBL8479224 0.81 OPRM1 (0.51) OPRM1SIGMAR1CHRM2CHRM3ACHE
SCHEMBL7499304 0.80 CCR5 (0.53) OPRM1SIGMAR1CHRM2CHRM3ACHE
SCHEMBL34474746 0.80 CCR5 (0.53) OPRM1SIGMAR1CHRM2CHRM3ACHE

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-20220389019-A1 TrkB POSITIVE ALLOSTERIC MODULATORS INSERM - INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (FR) 2022-12-08 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-20220389019-A1 TrkB POSITIVE ALLOSTERIC MODULATORS HTT, NTRK2, BDNF OPRM1 1475/4885SIGMAR1 1243/4885CHRM2 1374/4885

“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.