SCHEMBL2468359

SCHEMBL2468359

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]([C]=O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.55
GLP1R P43220 6/20 0.54
PTH1R Q03431 1/20 0.54
NPBWR1 P48145 2/20 0.52
RXFP1 Q9HBX9 1/20 0.51
EDNRA P25101 1/20 0.50

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
SCHEMBL676260 0.90 EDNRA (0.54) GLP1RNPBWR1EDNRA
SCHEMBL31439140 0.87 GLP1R (0.58) GHSRGLP1RNPBWR1EDNRA
SCHEMBL16063027 0.87 GLP1R (0.55) GHSRGLP1RPTH1RNPBWR1RXFP1
SCHEMBL29634678 0.87 GLP1R (0.59) GLP1RPTH1RNPBWR1RXFP1
SCHEMBL3218493 0.86 EDNRA (0.56) GHSRNPBWR1EDNRA
SCHEMBL30874388 0.86 GLP1R (0.60) GLP1RPTH1RNPBWR1RXFP1
SCHEMBL3124499 0.85 EDNRA (0.55) GHSRGLP1RPTH1RNPBWR1EDNRA
SCHEMBL30576557 0.85 EDNRA (0.61) GHSRNPBWR1EDNRA
SCHEMBL30977971 0.85 NPBWR1 (0.59) GHSRNPBWR1EDNRA
SCHEMBL30874398 0.85 GLP1R (0.62) GHSRGLP1RPTH1RRXFP1

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
US-8017633-B2 Administering [3-cyclopropylmethoxy-4-difluoromethoxy-N-(3,5-dichloropyrid-4-yl)benzamide; hypertension, hyperlipidemia, hyperuricemia, gout and hypercoagulability NYCOMED GMBH (DE) 2011-09-13 US disclosed
US-20080214625-A1 Roflumilast for the Treatment of Diabetes Mellitus KONINKLIJKE HILIPS ELECTRONICS, N.V. (NL) 2008-09-04 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-20080214625-A1 Roflumilast for the Treatment of Diabetes Mellitus NOS3, PLAT, PTGIS GHSR 891/4885GLP1R 46/4885PTH1R 978/4885

“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.