SCHEMBL4372857

SCHEMBL4372857

[CH2]C1(C(=O)OC(C)(C)C)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRM1 P35372 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL15055670 0.82 KDM4E (0.35) KDM4EKMT2AOPRM1CYP4F2CYP4A11
SCHEMBL28487708 0.78 KDM4E (0.33) KDM4EKMT2AOPRM1CYP4F2CYP4A11
SCHEMBL4372862 0.78 FFAR3 (0.34) KDM4EKMT2AOPRM1CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL23211002 0.77 FFAR3 (0.33) KDM4EKMT2AOPRM1CYP4F2CYP4A11
SCHEMBL2146137 0.77 OPRM1 (0.34) KDM4EKMT2AOPRM1CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL6643227 0.77 KDM4E (0.32) KDM4EKMT2AOPRM1CYP4F2CYP4A11
SCHEMBL984738 0.77 KDM4E (0.36) KDM4EKMT2AOPRM1CYP4F2CYP4A11
SCHEMBL27426214 0.77 KDM4E (0.32) KDM4EKMT2AOPRM1CYP4F2CYP4A11
SCHEMBL13362182 0.76 KDM4E (0.32) KDM4EKMT2AOPRM1
SCHEMBL6371579 0.76 KDM4E (0.32) KDM4EKMT2AOPRM1

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-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
EP-2024334-A2 SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2007136607-A2 SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-11-29 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 (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-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH KDM4E 2066/4885KMT2A 2455/4885OPRM1 87/4885

“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.