SCHEMBL6038004

SCHEMBL6038004

O=C(COCc1ccc(F)cc1)NCCCc1ccc(CN2CCC(c3c[nH]c4ccccc34)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CHRM4 P08173 1/20 0.52
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
BCHE P06276 4/20 0.47
ACHE P22303 4/20 0.47

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
SCHEMBL6038039 0.81 CCR1 (0.45) BCHEACHE
SCHEMBL5277140 0.81 CCR1 (0.45) BCHEACHE
SCHEMBL5277138 0.81 CCR1 (0.45) BCHEACHE
SCHEMBL6037967 0.79 CCR1 (0.48) HDAC8HDAC6BCHEACHE
SCHEMBL6037968 0.79 CCR1 (0.48) HDAC8HDAC6BCHEACHE
SCHEMBL6037964 0.79 CCR1 (0.48) HDAC8HDAC6BCHEACHE
SCHEMBL5281014 0.78 HDAC3 (0.49) CCR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5279163 0.77 BCHE (0.50) BCHEACHE
SCHEMBL6037933 0.77 GFER (0.53) BCHEACHE
SCHEMBL6038081 0.76 SSTR3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed

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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 CCR2 3756/4885HDAC3 2/4885HDAC4 7/4885

“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.