SCHEMBL14728368

SCHEMBL14728368

CCC(=O)C(C)NC(=O)Cc1cnc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.54
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
GABRA1 P14867 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
GABRR1 P24046 1/20 0.49
GABRR2 P28476 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRB2 P47870 1/20 0.49
GABRA4 P48169 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
PMP22 Q01453 1/20 0.47
HRH3 Q9Y5N1 12/20 0.44
HRH4 Q9H3N8 6/20 0.44
QPCT Q16769 1/20 0.42
QPCTL Q9NXS2 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH2 P25021 1/20 0.41

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
SCHEMBL6890619 1.00 S1PR1 (0.54) S1PR1ALDH1A1CYP3A4GABRA1TSHR
SCHEMBL7603937 0.86 HRH3 (0.49) CYP3A4TSHRHRH3HRH4QPCT
SCHEMBL7602789 0.86 HRH3 (0.49) CYP3A4TSHRHRH3HRH4QPCT
SCHEMBL3510791 0.85 S1PR1 (0.56) S1PR1ALDH1A1CYP3A4GABRA1TSHR
SCHEMBL22901902 0.83 ALDH1A1 (0.56) S1PR1ALDH1A1CYP3A4GABRA1TSHR
SCHEMBL18697423 0.79 CYP3A4 (0.56) ALDH1A1CYP3A4NFKB1HRH3HRH4
SCHEMBL12982022 0.79 CYP3A4 (0.56) ALDH1A1CYP3A4NFKB1HRH3HRH4
SCHEMBL17189358 0.79 CYP3A4 (0.56) ALDH1A1CYP3A4NFKB1HRH3HRH4
SCHEMBL888666 0.75 ALDH1A1 (0.61) ALDH1A1CYP3A4GABRA1TSHRNFKB1
SCHEMBL8918572 0.73 ALDH1A1 (0.63) ALDH1A1CYP3A4GABRA1TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513141-B1 GLP-1 ANALOGUES AND DERIVATIVES NOVO NORDISK AS (DK) 2017-03-01 EP disclosed
US-20130053311-A1 GLP-1 ANALOGUES AND DERIVATIVES NOVO NORDISK A/S (DK) 2013-02-28 US 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-20130053311-A1 GLP-1 ANALOGUES AND DERIVATIVES GLP1R, IAPP, SLC5A1 S1PR1 1823/4885ALDH1A1 2799/4885CYP3A4 1158/4885

“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.