SCHEMBL27075772

SCHEMBL27075772

NCCCCCCCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MC4R P32245 10/20 0.61
MC5R P33032 8/20 0.61
MC3R P41968 8/20 0.61
LIMK2 P53671 1/20 0.50
MAOA P21397 1/20 0.50
REN P00797 1/20 0.49

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
SCHEMBL3795459 1.00 MC4R (0.61) MC4RMC5RMC3RLIMK2MAOA
SCHEMBL2584582 0.93 LIMK2 (0.56) MC4RMC5RMC3RLIMK2REN
SCHEMBL21628078 0.91 REN (0.56) MC4RMC5RMC3RREN
SCHEMBL1023411 0.85 CARM1 (0.55) MC4RMC3RLIMK2REN
SCHEMBL8329778 0.85 MC4R (0.51) MC4RMC5RMC3R
SCHEMBL3884654 0.85 MC4R (0.48) MC4RMC5RMC3R
SCHEMBL16333819 0.84 REN (0.54) MC4RMC5RMC3RREN
SCHEMBL13723381 0.84 REN (0.54) MC4RMC5RMC3RREN
Hydrochloric Acid SCHEMBL570912 0.84 CARM1 (0.53) MC4RMC3RLIMK2REN
SCHEMBL15546987 0.83 CNR2 (0.64) LIMK2

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-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
WO-2022212471-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2022-10-06 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-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS OPRM1, OPRK1, CCR5 MC4R 339/4885MC5R 305/4885MC3R 142/4885

“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.