SCHEMBL2469583

SCHEMBL2469583

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)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.61
▸ PTH1R Q03431 4/20 0.61
▸ GLP1R P43220 13/20 0.59
▸ IL23R Q5VWK5 1/20 0.56
▸ NR3C1 P04150 1/20 0.56

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
SCHEMBL30038811 0.92 RXFP1 (0.72) RXFP1PTH1RGLP1RIL23R
SCHEMBL30978207 0.90 GLP1R (0.60) RXFP1PTH1RGLP1R
SCHEMBL30271992 0.89 RXFP1 (0.68) RXFP1PTH1RGLP1R
SCHEMBL30183209 0.89 RXFP1 (0.68) RXFP1PTH1RGLP1R
SCHEMBL30844669 0.89 RXFP1 (0.69) RXFP1PTH1RGLP1R
SCHEMBL31686944 0.89 RXFP1 (0.68) RXFP1PTH1RGLP1R
SCHEMBL29663916 0.88 PTH1R (0.59) RXFP1PTH1RGLP1R
SCHEMBL30874405 0.87 RXFP1 (0.64) RXFP1PTH1RGLP1R
SCHEMBL29359687 0.87 PTH1R (0.66) RXFP1PTH1RGLP1RIL23RNR3C1
SCHEMBL16705802 0.86 RXFP1 (0.55) RXFP1PTH1RGLP1RIL23R

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 RXFP1 30/4885PTH1R 978/4885GLP1R 46/4885

“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.

Send feedback