SCHEMBL1567074

SCHEMBL1567074

CCCCNCCc1c[nH]c2ccc3c(c12)CCCO3

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.64
HTR1A P08908 7/20 0.64
HTR1D P28221 7/20 0.64
HTR2A P28223 6/20 0.64
HTR2B P41595 5/20 0.64
HTR6 P50406 2/20 0.57
HTR4 Q13639 2/20 0.57
HTR1B P28222 2/20 0.57
ADRA2A P08913 1/20 0.57
ADRA2C P18825 1/20 0.57
HTR7 P34969 1/20 0.57
MPO P05164 4/20 0.46
MTNR1A P48039 2/20 0.41
MTNR1B P49286 1/20 0.41
PARP1 P09874 3/20 0.39
SLC6A4 P31645 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL31105674 0.90 HTR2A (0.68) HTR2CHTR1AHTR1DHTR2AHTR2B
SCHEMBL7000777 0.86 HTR2A (0.73) HTR2CHTR1AHTR1DHTR2AHTR2B
SCHEMBL31105758 0.82 HTR2A (0.57) HTR2CHTR1AHTR1DHTR2AHTR2B
SCHEMBL1567072 0.81 HTR2A (0.59) HTR2CHTR1AHTR1DHTR2AHTR2B
SCHEMBL1567786 0.81 HTR2A (0.61) HTR2CHTR1AHTR1DHTR2AHTR2B
SCHEMBL4688022 0.80 MTNR1A (0.65) HTR2CHTR1AHTR1DHTR2AHTR2B
SCHEMBL4690449 0.78 HTR2A (1.00) HTR2CHTR1AHTR1DHTR2AHTR2B
SCHEMBL8397290 0.78 HTR2A (0.61) HTR2CHTR1AHTR1DHTR2AHTR2B
SCHEMBL8177855 0.78 HTR2C (1.00) HTR2CHTR1AHTR1DHTR2AHTR2B
SCHEMBL31105649 0.78 HTR2A (0.73) HTR2CHTR1AHTR1DHTR2AHTR2B

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090274733-A1 Pharmaceutical preparation containing copolyvidone TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2009-11-05 US disclosed
US-20090264521-A1 Percutaneous absorption preparation SUZUKI YASUYUKI 2009-10-22 US disclosed
EP-1214944-B1 Composition for PERCUTANEOUS ABSORPTION with a compound having a melatonin receptor agonist activity TAKEDA PHARMACEUTICAL (JP) 2009-09-23 EP disclosed
US-20090048325-A1 Prophylactic or Therapeutic Agent for Irritable Bowel Syndrome TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1997488-A1 AGENT FOR PREVENTION/TREATMENT OF IRRITABLE BOWEL SYNDROME Takeda Pharmaceutical Company Limited (JP) 2008-12-03 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 HTR2C 277/4885HTR1A 67/4885HTR1D 334/4885
US-20170020841-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE PRCP, COPS6, COPS5 HTR2C 2600/4885HTR1A 2866/4885HTR1D 3850/4885
US-20090274733-A1 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 HTR2C 2600/4885HTR1A 2866/4885HTR1D 3850/4885
US-10098866-B2 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 HTR2C 2600/4885HTR1A 2866/4885HTR1D 3850/4885
US-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS MTNR1A, MTNR1B, MC1R HTR2C 248/4885HTR1A 65/4885HTR1D 356/4885
US-20100267821-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME HRH4, HRH2, HRH3 HTR2C 223/4885HTR1A 237/4885HTR1D 197/4885
US-20090048325-A1 Prophylactic or Therapeutic Agent for Irritable Bowel Syndrome HRH4, HRH2, HRH3 HTR2C 223/4885HTR1A 237/4885HTR1D 197/4885
US-20170128409-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR ATTENTION DEFICIT/HYPERACTIVITY DISORDER AANAT, DBH, CHAT HTR2C 25/4885HTR1A 20/4885HTR1D 33/4885
US-20100331402-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR ATTENTION DEFICIT/HYPERACTIVITY DISORDER AANAT, DBH, CHAT HTR2C 25/4885HTR1A 20/4885HTR1D 33/4885

“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.