SCHEMBL5400596

SCHEMBL5400596

Cc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48
KCNA5 P22460 2/20 0.42
TBXAS1 P24557 8/20 0.38
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
FFAR1 O14842 1/20 0.36
TBXA2R P21731 1/20 0.36

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
SCHEMBL5409148 0.94 TRPV1 (0.48) TRPV1KCNA5TBXAS1ALDH1A1HDAC6
SCHEMBL5398696 0.92 TRPV1 (0.47) TRPV1KCNA5TBXAS1NOTUMHDAC6
SCHEMBL5412150 0.91 TBXAS1 (0.46) TRPV1KCNA5TBXAS1
SCHEMBL5401132 0.90 TRPV1 (0.51) TRPV1TBXAS1HDAC6
SCHEMBL5412105 0.90 TRPV1 (0.46) TRPV1TBXAS1ALDH1A1FFAR1TBXA2R
SCHEMBL4928569 0.88 TRPV1 (0.46) TRPV1NOTUMALDH1A1FFAR1
SCHEMBL5400676 0.88 CA1 (0.47) TRPV1
SCHEMBL5402302 0.87 NOTUM (0.43) TRPV1KCNA5TBXAS1NOTUMALDH1A1
SCHEMBL5402993 0.86 MAPK1 (0.44) TRPV1ALDH1A1
SCHEMBL4930701 0.85 TRPV1 (0.41) TRPV1TBXAS1NOTUMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 EP 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB TRPV1 1916/4885KCNA5 3586/4885TBXAS1 802/4885

“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.