SCHEMBL5398696

SCHEMBL5398696

CN(C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccncc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TBXAS1 P24557 9/20 0.38
HDAC6 Q9UBN7 1/20 0.37
POLB P06746 1/20 0.37
NOTUM Q6P988 1/20 0.36
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNA5 P22460 1/20 0.35

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 0.96 TRPV1 (0.48) TRPV1KMT2ATBXAS1HDAC6POLB
SCHEMBL5412150 0.93 TBXAS1 (0.46) TRPV1KMT2ATBXAS1HTTKCNA5
SCHEMBL5400596 0.92 TRPV1 (0.48) TRPV1TBXAS1HDAC6NOTUMKCNA5
SCHEMBL5401132 0.92 TRPV1 (0.51) TRPV1KMT2ATBXAS1HDAC6HTT
SCHEMBL5412105 0.90 TRPV1 (0.46) TRPV1KMT2AKDM4ETBXAS1
SCHEMBL4928569 0.88 TRPV1 (0.46) TRPV1KDM4EPOLBNOTUM
SCHEMBL5400676 0.88 CA1 (0.47) TRPV1
SCHEMBL4930701 0.87 TRPV1 (0.41) TRPV1KDM4ETBXAS1NOTUM
SCHEMBL5418597 0.87 TRPV1 (0.47) TRPV1KMT2ATBXAS1HDAC6HTT
SCHEMBL5406659 0.87 TRPV1 (0.40) TRPV1KMT2AKDM4EHDAC6POLB

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 1916/4885KMT2A 2451/4885KDM4E 4680/4885

“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.