SCHEMBL27410603

SCHEMBL27410603

CNC(=O)COCC(=O)NCCCNC(=O)COCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.43
▸ FAAH O00519 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 3/20 0.37
▸ RECQL P46063 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ GLP1R P43220 5/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9356724 0.86 MEN1 (0.44) CYP2C19FAAHEPHX2MEN1KMT2A
SCHEMBL7676676 0.86 TSHR (0.40) CYP2C19KMT2ATSHRRECQLPOLB
SCHEMBL27410515 0.85 FAAH (0.46) FAAHMEN1KMT2ATSHRRECQL
SCHEMBL11908564 0.84 ALDH1A1 (0.48) CYP2C19FAAHEPHX2MEN1KMT2A
SCHEMBL15552174 0.84 ALDH1A1 (0.48) CYP2C19FAAHEPHX2MEN1KMT2A
SCHEMBL27075765 0.84 FAAH (0.45) CYP2C19FAAHMEN1KMT2ATSHR
SCHEMBL27075768 0.84 FAAH (0.45) CYP2C19FAAHMEN1KMT2ATSHR
SCHEMBL27075776 0.84 FAAH (0.45) CYP2C19FAAHMEN1KMT2ATSHR
SCHEMBL3273924 0.83 FAAH (0.51) FAAHEPHX2MEN1KMT2ATSHR
SCHEMBL10140852 0.81 FAAH (0.59) FAAHEPHX2MEN1KMT2ATSHR

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-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY 2024-06-27 — — 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-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS OPRM1, OPRK1, CCR5 CYP2C19 2166/4885FAAH 1633/4885EPHX2 578/4885

“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.

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