SCHEMBL25501979

SCHEMBL25501979

COC(=O)CCC(=O)N(CCN)Cc1ccc(CCN)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.43
▸ HDAC6 Q9UBN7 6/20 0.43
▸ HDAC3 O15379 5/20 0.43
▸ HDAC2 Q92769 5/20 0.43
▸ HDAC4 P56524 4/20 0.43
▸ HDAC7 Q8WUI4 4/20 0.43
▸ HDAC10 Q969S8 4/20 0.43
▸ HDAC11 Q96DB2 4/20 0.43
▸ HDAC8 Q9BY41 4/20 0.43
▸ HDAC9 Q9UKV0 4/20 0.43
▸ HDAC5 Q9UQL6 4/20 0.43
▸ MC4R P32245 1/20 0.41
▸ MC3R P41968 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ CA12 O43570 3/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40

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
SCHEMBL13521690 0.94 HDAC3 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL14703487 0.86 HDAC3 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL25495976 0.86 FOLH1 (0.38) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL23080794 0.86 HDAC3 (0.42) HDAC1HDAC6HDAC3HDAC2HDAC4
Hydrochloric Acid SCHEMBL23270114 0.85 HDAC3 (0.41) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL25444886 0.78 HDAC3 (0.39) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL26517824 0.77 TAAR1 (0.52) TSHRTAAR1CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL23537869 0.77 HDAC3 (0.39) HDAC1HDAC6HDAC3HDAC2HDAC4
Hydrochloric Acid SCHEMBL10869249 0.76 TAAR1 (0.47) TSHRTAAR1CYP4F2CYP4A11
SCHEMBL13521693 0.76 USP2 (0.50) HDAC1HDAC6HDAC3HDAC2HDAC4

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-20230159592-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-05-25 — — 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-20230159592-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 HDAC1 296/4885HDAC6 1130/4885HDAC3 455/4885

“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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