SCHEMBL3392405

SCHEMBL3392405

CCOC(=O)C(Cc1cnc[nH]1)NC(=O)CCNC(=O)CCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ REN P00797 3/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ CCR2 P41597 1/20 0.46

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
SCHEMBL13007878 1.00 SLC6A5 (0.48) SLC6A5MEN1KMT2AEPHX2REN
SCHEMBL18381256 0.81 SLC6A5 (0.57) SLC6A5EPHX2RENCCR2
SCHEMBL21852767 0.80 ERAP2 (0.54) SLC6A5REN
SCHEMBL28808810 0.79 SLC6A5 (0.69) SLC6A5KMT2AEPHX2
SCHEMBL19051482 0.79 SLC6A5 (0.53) SLC6A5EPHX2CCR2
SCHEMBL18381283 0.79 SLC6A5 (0.51) SLC6A5EPHX2CCR2
SCHEMBL18381317 0.77 SLC6A5 (0.51) SLC6A5EPHX2CCR2
SCHEMBL29713992 0.77 SLC6A5 (0.77) SLC6A5EPHX2
SCHEMBL16070708 0.77 SLC6A5 (0.77) SLC6A5EPHX2
SCHEMBL27352063 0.76 SLC6A5 (0.54) SLC6A5RENHDAC1HDAC6CCR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737819-B1 AMINO ACID AND PEPTIDE CONJUGATES OF ARYLALKYLIC ACIDS FOR COSMETIC USE DSM IP ASSETS BV (NL) 2010-12-22 — — EP disclosed
US-20100099727-A1 Amino acid and peptide conjugates of arylalkylic acids for cosmetic use DSM IP ASSETS B.V. (NL) 2010-04-22 — — US disclosed
US-20080234344-A1 Amino Acid and Peptide Conjugates of Arylalkylic Acids for Cosmetic Use DSM IP ASSETS B.V. (NL) 2008-09-25 — — US disclosed
EP-1737819-A1 AMINO ACID AND PEPTIDE CONJUGATES OF ARYLALKYLIC ACIDS FOR COSMETIC USE DSMIP Assets B.V. (NL) 2007-01-03 — — EP disclosed
WO-2005092850-A1 AMINO ACID AND PEPTIDE CONJUGATES OF ARYLALKYLIC ACIDS FOR COSMETIC USE DSM IP ASSETS B.V. (NL) 2005-10-06 — — 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 (2 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-20080234344-A1 Amino Acid and Peptide Conjugates of Arylalkylic Acids for Cosmetic Use NGLY1, HRH4, C3AR1 SLC6A5 2345/4885MEN1 993/4885KMT2A 2235/4885
US-20100099727-A1 Amino acid and peptide conjugates of arylalkylic acids for cosmetic use NGLY1, HRH4, C3AR1 SLC6A5 2345/4885MEN1 993/4885KMT2A 2235/4885

“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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