SCHEMBL1567415

SCHEMBL1567415

CC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 1.00
MTNR1B P49286 20/20 1.00
ABCB11 O95342 1/20 0.79
SIGMAR1 Q99720 1/20 0.79
USP2 O75604 1/20 0.79
NQO2 P16083 1/20 0.57
HTR2C P28335 1/20 0.54

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
SCHEMBL1567007 1.00 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL1387143 0.93 MTNR1B (0.89) MTNR1AMTNR1BABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL1566122 0.88 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL338730 0.88 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
Ramelteon SCHEMBL29237 0.88 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
Ramelteon SCHEMBL29380213 0.88 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL29827337 0.88 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL1612991 0.87 MTNR1A (0.78) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL1566589 0.86 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL14863848 0.86 MTNR1A (0.76) 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS SUZUKI YASUYUKI (JP) 2012-12-06 US claimed
EP-1206943-B1 MATRIX ADHERING TO NASAL MUCOSA TAKEDA PHARMACEUTICAL (JP) 2010-04-07 EP claimed
US-20090264521-A1 Percutaneous absorption preparation SUZUKI YASUYUKI 2009-10-22 US claimed
EP-1214944-B1 Composition for PERCUTANEOUS ABSORPTION with a compound having a melatonin receptor agonist activity TAKEDA PHARMACEUTICAL (JP) 2009-09-23 EP claimed
US-6663883-B1 Matrix adhering to the nasal mucosa which allows improved transfer into the brain of a drug, polyglycerol fatty acid ester, a viscogenic substance and (S)-N-(2-(1,6,7,8-tetrahydro-2H-indeno TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-12-16 US claimed
EP-1214944-A1 PERCUTANEOUS ABSORPTION AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-19 EP claimed
EP-1206943-A1 MATRIX ADHERING TO NASAL MUCOSA Takeda Chemical Industries, Ltd. (JP) 2002-05-22 EP claimed
US-20210077431-A1 N-(2-(SUBSTITUTED-NAPHTH-1-YL)ETHYL) SUBSTITUTED AMIDE COMPOUND, PREPARATION AND USES THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-03-18 US disclosed
EP-3653602-A1 N-(2-(SUBSTITUTED-NAPHTH-1-YL)ETHYL) SUBSTITUTED AMIDE COMPOUND, PREPARATION AND USES THEREOF Beijing Greatway Pharmaceutical Technology Co., Ltd. (CN) 2020-05-20 EP disclosed
US-10098866-B2 Pharmaceutical preparation containing copolyvidone TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-16 US disclosed
US-20170020841-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE TAKEDA PHARMACEUTICALS CO (JP) 2017-01-26 US disclosed
EP-1792899-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-07-09 EP disclosed
US-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-06 US disclosed
US-6663883-B1 Matrix adhering to the nasal mucosa which allows improved transfer into the brain of a drug, polyglycerol fatty acid ester, a viscogenic substance and (S)-N-(2-(1,6,7,8-tetrahydro-2H-indeno TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-12-16 US disclosed
EP-1334732-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE Takeda Chemical Industries, Ltd. (JP) 2003-08-13 EP disclosed
EP-1214944-A1 PERCUTANEOUS ABSORPTION AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-19 EP disclosed
EP-1206943-A1 MATRIX ADHERING TO NASAL MUCOSA Takeda Chemical Industries, Ltd. (JP) 2002-05-22 EP disclosed
JP-2002128773-A TRICYCLIC COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE COMPOUND TAKEDA CHEM IND LTD 2002-05-09 JP disclosed
WO-2002016337-A1 TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-28 WO disclosed
JP-2001131057-A NASAL MUCOUS MEMBRANE-ADHERING MATRIX TAKEDA CHEM IND LTD 2001-05-15 JP 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 (6 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-20090264521-A1 Percutaneous absorption preparation MTNR1A, MTNR1B, NPSR1 MTNR1A 1/4885MTNR1B 2/4885ABCB11 166/4885
US-20170020841-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE PRCP, COPS6, COPS5 MTNR1A 3487/4885MTNR1B 3104/4885ABCB11 108/4885
US-20140066499-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINE DERIVATIVES INMT, TYR, PNMT MTNR1A 3077/4885MTNR1B 2236/4885ABCB11 3751/4885
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-20210077431-A1 N-(2-(SUBSTITUTED-NAPHTH-1-YL)ETHYL) SUBSTITUTED AMIDE COMPOUND, PREPARATION AND USES THEREOF MTNR1A, HTR2C, MTNR1B MTNR1A 1/4885MTNR1B 3/4885ABCB11 1218/4885

“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.