SCHEMBL677586

SCHEMBL677586

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.56
KISS1R Q969F8 2/20 0.55
OPRD1 P41143 1/20 0.54
IL23R Q5VWK5 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53
PRMT1 Q99873 1/20 0.52
ECE1 P42892 1/20 0.52
GLP1R P43220 1/20 0.52
MUS81 Q96NY9 1/20 0.52
PTH1R Q03431 1/20 0.52

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
SCHEMBL29375423 1.00 NPBWR1 (0.56) NPBWR1KISS1ROPRD1IL23RRXFP1
SCHEMBL30198266 0.97 NPBWR1 (0.60) NPBWR1IL23RRXFP1PTH1R
SCHEMBL30874406 0.95 NPBWR1 (0.57) NPBWR1KISS1ROPRD1IL23RRXFP1
SCHEMBL29370686 0.94 NPBWR1 (0.56) NPBWR1KISS1ROPRD1IL23RRXFP1
SCHEMBL15849869 0.93 NPBWR1 (0.55) NPBWR1KISS1ROPRD1IL23RRXFP1
SCHEMBL30253514 0.93 NPBWR1 (0.60) NPBWR1IL23RRXFP1PRMT1
SCHEMBL31614451 0.92 NPBWR1 (0.63) NPBWR1IL23RRXFP1
SCHEMBL29396822 0.91 NPBWR1 (0.61) NPBWR1IL23RRXFP1PTH1R
SCHEMBL2194373 0.90 KISS1R (0.57) NPBWR1KISS1RIL23R
SCHEMBL31743243 0.90 KISS1R (0.58) NPBWR1KISS1RECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230173086-A1 PEPTIDE CONJUGATES AND THERAPEUTIC AGENTS HAVING IMPROVED PHARMACOLOGICAL AND PHARMACOKINETIC PROPERTIES EAGLE RESOLUTE INVESTMENT LLC 2023-06-08 US disclosed
US-8541456-B2 Roflumilast for the treatment of diabetes mellitus type 2 TAKEDA GMBH (DE) 2013-09-24 US disclosed
US-20110269750-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS NYCOMED GMBH (DE) 2011-11-03 US disclosed
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 (3 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 NPBWR1 1385/4885KISS1R 1133/4885OPRD1 2182/4885
US-20110269750-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS PPARD, PPARA, PPARG NPBWR1 641/4885KISS1R 1372/4885OPRD1 1163/4885
US-20230173086-A1 PEPTIDE CONJUGATES AND THERAPEUTIC AGENTS HAVING IMPROVED PHARMACOLOGICAL AND PHARMACOKINETIC PROPERTIES VIP, DNPEP, CD74 NPBWR1 763/4885KISS1R 3501/4885OPRD1 3854/4885

“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.