SCHEMBL1567072

SCHEMBL1567072

CCCC(=O)NCCc1c[nH]c2ccc3c(c12)CCCO3

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.59
HTR2C P28335 5/20 0.59
HTR2B P41595 5/20 0.59
HTR1A P08908 4/20 0.59
HTR1D P28221 3/20 0.59
HTR6 P50406 2/20 0.53
HTR4 Q13639 2/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2C P18825 1/20 0.53
HTR1B P28222 1/20 0.53
HTR7 P34969 1/20 0.53
MTNR1A P48039 6/20 0.50
MTNR1B P49286 3/20 0.50
PARP1 P09874 2/20 0.46
TRPV1 Q8NER1 2/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL1567786 0.92 HTR2A (0.61) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL4688022 0.87 MTNR1A (0.65) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL8397290 0.85 HTR2A (0.61) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL8169370 0.82 HTR2A (0.60) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL7000777 0.82 HTR2A (0.73) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL8169504 0.82 HTR2A (0.59) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL31105674 0.82 HTR2A (0.68) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL1567074 0.81 HTR2C (0.64) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL4397783 0.81 HTR2A (0.52) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL4690449 0.75 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AHTR1D

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 26 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
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
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-2305219-A1 Pharmaceutical preparations coated with a copolyvidone-containing coating Takeda Pharmaceutical Company Limited (JP) 2011-04-06 EP disclosed
US-20100331402-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR ATTENTION DEFICIT/HYPERACTIVITY DISORDER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-30 US disclosed
EP-2248808-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR ATTENTION DEFICIT/HYPERACTIVITY DISORDER Takeda Pharmaceutical Company Limited (JP) 2010-11-10 EP disclosed
US-20100267821-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
EP-1550655-A1 Bicyclic intermediates Takeda Pharmaceutical Company Limited (JP) 2005-07-06 EP disclosed
US-20040018239-A1 Pharmaceutical preparation containing copolyvidone TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-01-29 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-0885210-B1 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-06-12 EP 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
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 (8 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 HTR2A 3093/4885HTR2C 2600/4885HTR2B 2920/4885
US-20040018239-A1 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 HTR2A 3093/4885HTR2C 2600/4885HTR2B 2920/4885
US-10098866-B2 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 HTR2A 3093/4885HTR2C 2600/4885HTR2B 2920/4885
US-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS MTNR1A, MTNR1B, MC1R HTR2A 90/4885HTR2C 248/4885HTR2B 120/4885
US-20090306167-A1 Pharmaceutical Compositions for Intranasal Administration Comprising a Melatonin Receptor Agonist, Uses Thereof MTNR1A, MTNR1B, MCHR1 HTR2A 21/4885HTR2C 65/4885HTR2B 62/4885
US-20100267821-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME HRH4, HRH2, HRH3 HTR2A 457/4885HTR2C 223/4885HTR2B 212/4885
US-20170128409-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR ATTENTION DEFICIT/HYPERACTIVITY DISORDER AANAT, DBH, CHAT HTR2A 12/4885HTR2C 25/4885HTR2B 26/4885
US-20100331402-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR ATTENTION DEFICIT/HYPERACTIVITY DISORDER AANAT, DBH, CHAT HTR2A 12/4885HTR2C 25/4885HTR2B 26/4885

“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.