SCHEMBL17305102

SCHEMBL17305102

CC(C)CC(NCC(=O)C(C)(C)NC(=O)CCc1cnc[nH]1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HRH2 P25021 3/20 0.38
▸ HRH4 Q9H3N8 3/20 0.38
▸ REN P00797 2/20 0.38
▸ HRH1 P35367 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ERAP2 Q6P179 1/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.37
▸ LNPEP Q9UIQ6 1/20 0.37

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
SCHEMBL18857595 0.81 REN (0.47) HRH3CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL15257835 0.77 QPCT (0.46) HRH3CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL18862360 0.77 REN (0.52) HRH3CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL1688304 0.77 QPCT (0.47) HRH3CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL15259282 0.75 QPCT (0.54) HRH3CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL23733388 0.73 QPCT (0.48) HRH3CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL14725175 0.71 QPCT (0.44) HRH3CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL18862090 0.71 CYP3A4 (0.50) HRH3CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL15185921 0.70 CYP3A4 (0.49) HRH3CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL17040361 0.68 QPCT (0.48) HRH3CYP3A4CYP2D6TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344540-A1 NOVEL GLP-1 RECEPTOR AGONISTS WITH CHOLESTEROL EFFLUX ACTIVITY NOVO NORDISK A/S (DK) 2015-12-03 — — 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-20150344540-A1 NOVEL GLP-1 RECEPTOR AGONISTS WITH CHOLESTEROL EFFLUX ACTIVITY GLP1R, GIPR, GCGR HRH3 2845/4885CYP3A4 2108/4885CYP2D6 3132/4885

“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.

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