SCHEMBL25474945

SCHEMBL25474945

CCCC(NC(=O)CN)C(=O)CC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 3/20 0.33
▸ SLC6A5 Q9Y345 1/20 0.33
▸ DNM1 Q05193 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ AKR1A1 P14550 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31

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
SCHEMBL29411228 0.84 SLC6A5 (0.45) SLC6A5DPP8DPP9DPP7
SCHEMBL7175771 0.82 NOD1 (0.49) NOD1SLC6A5CHRM1AKR1A1CHRM3
SCHEMBL7175773 0.82 NOD1 (0.49) NOD1SLC6A5CHRM1AKR1A1CHRM3
SCHEMBL23792690 0.82 NOD1 (0.34) NOD1SLC6A5DNM1HDAC7HDAC8
SCHEMBL25474281 0.78 CTSS (0.34) NOD1SLC6A5DNM1HDAC7HDAC8
SCHEMBL13048990 0.74 CTSK (0.40) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL12175194 0.74 CTSK (0.40) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL18438966 0.74 CTSK (0.43) L3MBTL1CYP2C9TDP1POLBKMT2A
SCHEMBL18438964 0.74 CTSK (0.43) L3MBTL1CYP2C9TDP1POLBKMT2A
SCHEMBL24235744 0.74 POLB (0.51) DNM1L3MBTL1POLBKMT2AACACB

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-20230159594-A1 COMPOUNDS FOR USE IN VIRAL INFECTIONS PHARMA MAR, S.A. (ES) 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-20230159594-A1 COMPOUNDS FOR USE IN VIRAL INFECTIONS OAT, MAVS, HAVCR2 NOD1 3325/4885SLC6A5 3489/4885DNM1 1718/4885

“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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