SCHEMBL5511489

SCHEMBL5511489

NC(=O)NCCc1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 1.00
NQO2 P16083 2/20 0.54
MTNR1B P49286 5/20 0.53
TRPV1 Q8NER1 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
TPSAB1 Q15661 1/20 0.52
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.50
GAA P10253 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
SCHEMBL1386337 0.86 MTNR1A (0.76) MTNR1ACA2MEN1MAPTKMT2A
SCHEMBL1567114 0.85 MTNR1A (0.73) MTNR1ANQO2MTNR1BTRPV1CA12
SCHEMBL2692928 0.84 MTNR1A (0.73) MTNR1ANQO2MTNR1BTRPV1CA12
SCHEMBL29941181 0.83 MTNR1A (0.73) MTNR1ANQO2MTNR1B
SCHEMBL761446 0.83 MTNR1A (0.73) MTNR1ANQO2MTNR1B
SCHEMBL6686511 0.83 MTNR1A (0.71) MTNR1ANQO2MTNR1BTRPV1CA12
SCHEMBL4036596 0.82 MTNR1A (0.69) MTNR1ANQO2MTNR1BTRPV1MEN1
SCHEMBL2608948 0.81 MTNR1A (0.68) MTNR1ANQO2MTNR1BTRPV1KMT2A
SCHEMBL7898025 0.81 MTNR1A (0.68) MTNR1ANQO2MTNR1BTRPV1MEN1
SCHEMBL8065745 0.81 MTNR1A (0.68) MTNR1ANQO2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344425-B1 N-[[(2,6-disubstituted)phenyl]-N'- arylalkyl] ureas as antihypercholesterolemic and antiatherosclerotic agents WARNER LAMBERT CO (US) 1993-12-08 EP claimed
JP-6092926-A None JP disclosed
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
EP-1597256-A1 N-HETEROCYCLYL-SUBSTITUTED AMINO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 US disclosed
US-20050101595-A1 N-containing cycloalkyl-substituted amino-thiazole derivatives and pharmaceutical compositions for inhibiting cell proliferation and methods for their use PFIZER INC. 2005-05-12 US disclosed
EP-1027043-B1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-11-10 EP disclosed
WO-2004074283-A1 N-HETEROCYCLYL-SUBSTITUTED AMINO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2004-09-02 WO disclosed
EP-1027043-A4 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-02-20 EP disclosed
US-6235789-B1 GLANDULAR DISORDERS; SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0530087-B1 Naphthylethylurea and naphthylethylthiourea compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-05-03 EP disclosed
US-5389683-A Useful in treating or preventing a disorder of the melatoninergic system ADIR ET COMPAGNIE (FR) 1995-02-14 US disclosed
US-5389683-A Useful in treating or preventing a disorder of the melatoninergic system ADIR ET COMPAGNIE (FR) 1995-02-14 US disclosed
US-5385944-A Naphthylethylureas and naphthylethylthioureas ADIR ET COMPAGNIE (FR) 1995-01-31 US disclosed
US-5385944-A Naphthylethylureas and naphthylethylthioureas ADIR ET COMPAGNIE (FR) 1995-01-31 US disclosed
JP-H0692926-A NEW NAPHTHYLETHYLUREA AND NAPHTHYLETHYLTHIOUREA, PRODUCTION THEREOF AND MEDICINAL COMPOSITION INCORPORATING THE SAME ADIR 1994-04-05 JP disclosed
EP-0344425-B1 N-[[(2,6-disubstituted)phenyl]-N'- arylalkyl] ureas as antihypercholesterolemic and antiatherosclerotic agents WARNER LAMBERT CO (US) 1993-12-08 EP disclosed
EP-0530087-A1 Naphthylethylurea and naphthylethylthiourea compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-03-03 EP disclosed
US-5039801-A Refluxing in alcoholic solution THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 1991-08-13 US disclosed
EP-0344425-A2 N-[[(2,6-disubstituted)phenyl]-N'- arylalkyl] ureas as antihypercholesterolemic and antiatherosclerotic agents WARNER-LAMBERT COMPANY (US) 1989-12-06 EP 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 (2 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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 MTNR1A 221/4885NQO2 2364/4885MTNR1B 233/4885
US-20050101595-A1 N-containing cycloalkyl-substituted amino-thiazole derivatives and pharmaceutical compositions for inhibiting cell proliferation and methods for their use CCNI, MKI67, TK1 MTNR1A 3247/4885NQO2 706/4885MTNR1B 2516/4885

“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.