SCHEMBL25499825

SCHEMBL25499825

C=CCCCN(Cc1ccc(CCNC(=O)[C@]2(C)CCCN2)cc1)C(=O)CCC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 3/20 0.33
▸ HDAC3 O15379 4/20 0.32
▸ HDAC1 Q13547 4/20 0.32
▸ HDAC2 Q92769 4/20 0.32
▸ HDAC6 Q9UBN7 4/20 0.32
▸ HDAC4 P56524 3/20 0.32
▸ HDAC7 Q8WUI4 3/20 0.32
▸ HDAC10 Q969S8 3/20 0.32
▸ HDAC11 Q96DB2 3/20 0.32
▸ HDAC8 Q9BY41 3/20 0.32
▸ HDAC9 Q9UKV0 3/20 0.32
▸ HDAC5 Q9UQL6 3/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL25495648 0.78 USP2 (0.33) TLR7OPRM1OPRD1HRH3
SCHEMBL23080720 0.78 CA2 (0.43) TLR7HDAC3HDAC1HDAC2HDAC6
SCHEMBL23080794 0.77 HDAC3 (0.42) TLR7HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL23270114 0.76 HDAC3 (0.41) TLR7HDAC3HDAC1HDAC2HDAC6
SCHEMBL23643256 0.75 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL25499826 0.74 CHRM5 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL23538085 0.72 CA2 (0.40) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL25444886 0.70 HDAC3 (0.39) TLR7HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL23537869 0.69 HDAC3 (0.39) TLR7HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL31635867 0.69 KDM4E (0.40) ALDH1A1LMNASMN1; 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 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 TLR7 213/4885HDAC3 455/4885HDAC1 296/4885

“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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