SCHEMBL7602789

SCHEMBL7602789

CCC(=O)[C@H](C)NC(=O)CCc1cnc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.49
HRH4 Q9H3N8 4/20 0.48
QPCT Q16769 1/20 0.47
QPCTL Q9NXS2 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL7603937 1.00 HRH3 (0.49) HRH3HRH4QPCTQPCTLCYP3A4
SCHEMBL6890619 0.86 S1PR1 (0.54) HRH3HRH4QPCTQPCTLCYP3A4
SCHEMBL14728368 0.86 S1PR1 (0.54) HRH3HRH4QPCTQPCTLCYP3A4
SCHEMBL18857393 0.86 QPCT (0.49) HRH3HRH4QPCTQPCTLCYP3A4
SCHEMBL18857605 0.86 QPCT (0.49) HRH3HRH4QPCTQPCTLCYP3A4
SCHEMBL18862090 0.85 CYP3A4 (0.50) HRH3HRH4QPCTQPCTLCYP3A4
SCHEMBL18862060 0.80 QPCT (0.46) HRH3QPCTQPCTLCYP3A4CYP2D6
SCHEMBL17189358 0.76 CYP3A4 (0.56) HRH3HRH4CYP3A4
SCHEMBL12982022 0.76 CYP3A4 (0.56) HRH3HRH4CYP3A4
SCHEMBL18697423 0.76 CYP3A4 (0.56) HRH3HRH4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765408-B1 POLYPEPTIDE PROTRACTING TAGS COMPRISING A TETRAZOLE MOIETY NOVO NORDISK AS (DK) 2015-12-09 EP disclosed
EP-2289560-B1 POLYPEPTIDE PROTRACTING TAGS COMPRISING A TETRAZOLE MOIETY NOVO NORDISK AS (DK) 2015-04-22 EP disclosed
WO-2012062803-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK A/S (DK) 2012-05-18 WO disclosed
US-20120088716-A1 Polypeptide Protracting Tags NOVO NORDISK A/S (DK) 2012-04-12 US disclosed
EP-2292272-A2 Polypeptide protracting tags comprising a tetrazole moiety NOVO NORDISK A/S (DK) 2011-03-09 EP disclosed
EP-2289560-A2 Polypeptide protracting tags comprising a tetrazole moiety NOVO NORDISK A/S (DK) 2011-03-02 EP disclosed
EP-1863839-B1 ACYLATED GLP-1 COMPOUNDS NOVO NORDISK AS (DK) 2010-08-04 EP disclosed
WO-2006005667-A2 POLYPEPTIDE PROTRACTING TAGS COMPRISING A TETRAZOLE MOIETY NOVO NORDISK A/S (DK) 2006-01-19 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 (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-20120088716-A1 Polypeptide Protracting Tags VIP, FGB, NPPA HRH3 4426/4885HRH4 4117/4885QPCT 500/4885

“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.