SCHEMBL1567559

SCHEMBL1567559

CCC(=O)NCCC1=C(c2ccccc2)Cc2ccc3c(c21)CCO3

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 18/20 0.70
▸ MTNR1B P49286 16/20 0.70
▸ ABCB11 O95342 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ USP2 O75604 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
SCHEMBL1566620 0.93 MTNR1A (0.66) MTNR1AMTNR1B
SCHEMBL4690876 0.91 MTNR1A (0.80) MTNR1AMTNR1B
SCHEMBL1566624 0.82 MTNR1A (0.55) MTNR1AMTNR1BSIGMAR1
Hydrochloric Acid SCHEMBL4691174 0.78 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL1566409 0.75 MTNR1B (0.79) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL4685349 0.74 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL1566525 0.69 MTNR1A (0.76) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL124090 0.69 MTNR1B (0.82) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL2881136 0.68 MTNR1B (0.56) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL793401 0.68 MTNR1B (0.56) MTNR1AMTNR1BABCB11SIGMAR1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306167-A1 Pharmaceutical Compositions for Intranasal Administration Comprising a Melatonin Receptor Agonist, Uses Thereof INTRANASAL THERAPEUTICS, INC. 2009-12-10 — — US claimed
CN-100443480-C Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-12-17 — — CN claimed
EP-0885210-B2 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA PHARMACEUTICAL (JP) 2008-06-18 — — EP claimed
CN-1900067-A Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2007-01-24 — — CN claimed
CN-1727339-A Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-01 — — CN claimed
EP-0885210-B1 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-06-12 — — EP claimed
US-6034239-A BINDIG TO MELATONIN RECEPTORS; SLEEP DISORDERS; GLANDULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 — — US claimed
CN-1212691-A Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-03-31 — — CN claimed
US-10098866-B2 Pharmaceutical preparation containing copolyvidone TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-16 — — US disclosed
US-20170128409-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR ATTENTION DEFICIT/HYPERACTIVITY DISORDER TAKEDA PHARMACEUTICALS CO (JP) 2017-05-11 — — US disclosed
US-20170020841-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE TAKEDA PHARMACEUTICALS CO (JP) 2017-01-26 — — US disclosed
CN-101983193-B Prophylactic or therapeutic agent for attention deficit/hyperactivity disorder TAKEDA PHARMACEUTICAL 2014-03-12 — — CN disclosed
US-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS SUZUKI YASUYUKI (JP) 2012-12-06 — — US disclosed
US-8183285-B2 Therapeutic agent for irritable bowel syndrome and methods thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-22 — — US disclosed
EP-1199304-A1 Bicyclic compounds and pharmaceutical composition containing tricyclic compound for treating or preventing sleep disorders Takeda Chemical Industries, Ltd. (JP) 2002-04-24 — — EP disclosed
US-6218429-B1 TREATING MELATONIN RELATED DISORDERS (E.G. CIRCARDIAN RHYTHMS, SLEEP-AWAKE CYCLES, TIME ZONE CHANGES, SLEEP DISORDERS) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-17 — — US disclosed
US-6034239-A BINDIG TO MELATONIN RECEPTORS; SLEEP DISORDERS; GLANDULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 — — US disclosed
CN-1212691-A Tricyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-03-31 — — CN disclosed
EP-0885210-A1 Tricylic compounds having binding affinity for melatonin receptors, their production and use Takeda Chemical Industries, Ltd. (JP) 1998-12-23 — — EP disclosed
WO-1997032871-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-12 — — 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 (5 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-20170020841-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE PRCP, COPS6, COPS5 MTNR1A 3487/4885MTNR1B 3104/4885ABCB11 108/4885
US-10098866-B2 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 MTNR1A 3487/4885MTNR1B 3104/4885ABCB11 108/4885
US-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS MTNR1A, MTNR1B, MC1R MTNR1A 1/4885MTNR1B 2/4885ABCB11 148/4885
US-20090306167-A1 Pharmaceutical Compositions for Intranasal Administration Comprising a Melatonin Receptor Agonist, Uses Thereof MTNR1A, MTNR1B, MCHR1 MTNR1A 1/4885MTNR1B 2/4885ABCB11 2508/4885
US-20170128409-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR ATTENTION DEFICIT/HYPERACTIVITY DISORDER AANAT, DBH, CHAT MTNR1A 99/4885MTNR1B 56/4885ABCB11 1696/4885

“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.

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