SCHEMBL4701172

SCHEMBL4701172

COc1ccc2nc(C(=O)c3ccccc3)n(CC(=O)N(CCC(C)C)CCC(C)C)c2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 7/20 0.56
MC5R P33032 1/20 0.56
MC3R P41968 1/20 0.56
MC1R Q01726 1/20 0.56
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.46
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACSS2 Q9NR19 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4703677 0.91 MC4R (0.55) MC4RMC5RMC3RMC1RPOLB
SCHEMBL6047887 0.89 POLB (0.53) MC4RMC5RMC3RMC1RPOLB
SCHEMBL6047817 0.87 POLB (0.52) MC4RMC5RMC3RMC1RPOLB
SCHEMBL6047818 0.87 MC4R (0.48) MC4RMC5RMC3RMC1R
SCHEMBL6047848 0.85 MC4R (0.47) MC4RMC5RMC3RMC1RMEN1
SCHEMBL6047758 0.85 POLB (0.57) MC4RMC5RMC3RMC1RPOLB
SCHEMBL4697852 0.84 LMNA (0.50) MC4RMC5RMC3RMC1RPOLB
SCHEMBL6047807 0.84 MC4R (0.49) MC4RMC5RMC3RMC1RPOLB
SCHEMBL4697988 0.83 MC4R (0.46) MC4RMC5RMC3RMC1RCNR2
SCHEMBL6047820 0.81 MC4R (0.46) MC4RMC5RMC3RMC1R

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
EP-1646614-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2008-09-10 EP claimed
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 US claimed
EP-1646614-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-04-19 EP claimed
WO-2005002520-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-01-13 WO claimed
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 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-20060148805-A1 Opthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNN1 MC4R 1970/4885MC5R 666/4885MC3R 1367/4885

“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.