SCHEMBL23340475

SCHEMBL23340475

COC(=O)CCCCCCNc1ccnc2cc(Cl)ccc12

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.70
▸ NR4A2 P43354 1/20 0.69
▸ FERMT2 Q96AC1 4/20 0.63
▸ CYP1A2 P05177 1/20 0.62
▸ HTR1A P08908 1/20 0.59
▸ ADRA1D P25100 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ ADRA1B P35368 1/20 0.59
▸ HRH3 Q9Y5N1 6/20 0.57
▸ CDK1 P06493 1/20 0.57

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
SCHEMBL23340476 0.86 NR4A2 (0.54) CCR1NR4A2FERMT2CYP1A2
SCHEMBL23883137 0.86 NR4A2 (0.54) CCR1NR4A2FERMT2CYP1A2
SCHEMBL15481296 0.85 CCR1 (0.97) CCR1NR4A2FERMT2CYP1A2HTR1A
SCHEMBL17527057 0.85 CCR1 (0.97) CCR1NR4A2FERMT2CYP1A2HTR1A
SCHEMBL12643220 0.85 CCR1 (0.97) CCR1NR4A2FERMT2CYP1A2HTR1A
SCHEMBL23340236 0.85 CCR1 (0.72) CCR1NR4A2FERMT2CYP1A2HRH3
SCHEMBL20434214 0.83 CCR1 (0.78) CCR1NR4A2FERMT2CYP1A2HTR1A
SCHEMBL3647594 0.82 NR4A2 (1.00) CCR1NR4A2FERMT2CYP1A2HRH3
SCHEMBL23883151 0.82 CCR1 (0.84) CCR1NR4A2FERMT2CYP1A2HRH3
SCHEMBL16547269 0.82 CCR1 (0.84) CCR1NR4A2FERMT2CYP1A2HTR1A

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-20230022696-A1 SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-01-26 — — US disclosed
WO-2021087077-A1 SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-05-06 — — 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-20230022696-A1 SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF HDAC5, HDAC4, HDAC7 CCR1 4704/4885NR4A2 932/4885FERMT2 4750/4885

“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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