SCHEMBL5409148

SCHEMBL5409148

CN(C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccccc1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48
TBXAS1 P24557 10/20 0.42
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KCNA5 P22460 1/20 0.38

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
SCHEMBL5412150 0.97 TBXAS1 (0.46) TRPV1TBXAS1HTTKMT2AKCNA5
SCHEMBL5398696 0.96 TRPV1 (0.47) TRPV1TBXAS1CYP1A2CYP3A4CYP2C9
SCHEMBL5401132 0.96 TRPV1 (0.51) TRPV1TBXAS1CYP1A2CYP3A4CYP2C9
SCHEMBL5400596 0.94 TRPV1 (0.48) TRPV1TBXAS1ALDH1A1HDAC6KCNA5
SCHEMBL5412105 0.92 TRPV1 (0.46) TRPV1TBXAS1KMT2AGAATSHR
SCHEMBL5418597 0.91 TRPV1 (0.47) TRPV1TBXAS1HTTKMT2AGAA
SCHEMBL4928569 0.90 TRPV1 (0.46) TRPV1POLBALDH1A1
SCHEMBL5400676 0.90 CA1 (0.47) TRPV1
SCHEMBL5403373 0.89 ABCB1 (0.43) TRPV1HTTHDAC6
SCHEMBL4930701 0.89 TRPV1 (0.41) TRPV1TBXAS1ALDH1A1

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 1916/4885TBXAS1 802/4885CYP1A2 2649/4885

“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.