SCHEMBL3728182

SCHEMBL3728182

CN(C)C(=O)c1noc(C(Cc2ccccc2)N(C)C(=O)C(N)Cc2ccc3ccccc3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.43
MC5R P33032 2/20 0.43
MC3R P41968 2/20 0.43
SLC7A11 Q9UPY5 1/20 0.41
TPH1 P17752 8/20 0.40
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MAOB P27338 1/20 0.37
PTPN1 P18031 1/20 0.37
GHSR Q92847 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
OPRD1 P41143 1/20 0.36
DPP4 P27487 1/20 0.36
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36

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
SCHEMBL27477310 0.91 MC4R (0.44) MC4RMC5RMC3RSLC7A11TPH1
SCHEMBL6601903 0.91 MC4R (0.44) MC4RMC5RMC3RSLC7A11TPH1
SCHEMBL6602122 0.89 MC4R (0.42) MC4RMC5RMC3RSLC7A11TPH1
SCHEMBL6600540 0.89 MC4R (0.42) MC4RMC5RMC3RSLC7A11TPH1
SCHEMBL6601083 0.88 MC4R (0.41) MC4RMC5RMC3RSLC7A11TPH1
SCHEMBL6602371 0.86 MC4R (0.40) MC4RMC5RMC3RSLC7A11TPH1
SCHEMBL6317958 0.84 MC4R (0.43) MC4RMC5RMC3RSLC7A11TPH1
SCHEMBL6613846 0.84 MC4R (0.43) MC4RMC5RMC3RSLC7A11TPH1
SCHEMBL6600886 0.84 MMP2 (0.42) MC4RMC5RMC3RSLC7A11TPH1
SCHEMBL4284137 0.84 SLC7A11 (0.39) SLC7A11MMP9MMP8MAOB

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-20100093638-A1 TREAMENT FOR CHEMICAL SUBSTANCE ADDICTION ABUNON AB (SE) 2010-04-15 US disclosed
EP-0805816-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2004-07-28 EP disclosed
US-6350767-B1 GROWTH HORMONE RELEASE STIMULANT NOVO NORDISK A/S (DK) 2002-02-26 US disclosed
US-6013658-A ANIMAL GROWTH REGULATORS NOVO NORDISK A/S (DK) 2000-01-11 US disclosed
WO-1996022997-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-01 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-20100093638-A1 TREAMENT FOR CHEMICAL SUBSTANCE ADDICTION GHSR, GHRHR, TRHR MC4R 309/4885MC5R 254/4885MC3R 160/4885

“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.