SCHEMBL27075776

SCHEMBL27075776

CNC(=O)COCC(=O)NCCCCCNC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP2C19 P33261 1/20 0.39
▸ CASP2 P42575 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NAAA Q02083 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ EPHX1 P07099 3/20 0.35
▸ ADRA1A P35348 1/20 0.35

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
SCHEMBL27075768 1.00 FAAH (0.45) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27075765 1.00 FAAH (0.45) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27410603 0.84 CYP2C19 (0.43) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27410515 0.80 FAAH (0.46) FAAHMEN1KMT2AALDH1A1CASP2
SCHEMBL27410605 0.80 PAOX (0.41) FAAHMEN1KMT2AALDH1A1NAMPT
SCHEMBL15552174 0.79 ALDH1A1 (0.48) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11908564 0.79 ALDH1A1 (0.48) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL15941777 0.79 PAOX (0.40) FAAHMEN1KMT2AALDH1A1NAMPT
SCHEMBL27986572 0.77 FAAH (0.70) FAAHMEN1KMT2ACASP2NAAA
SCHEMBL18995822 0.77 NAMPT (0.49) FAAHMEN1KMT2AALDH1A1SMN1; SMN2

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 2 patents. 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
EP-4313051-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS Virginia Commonwealth University (US) 2024-02-07 — — EP 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 FAAH 1633/4885MEN1 4850/4885KMT2A 3025/4885

“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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