SCHEMBL1567883

SCHEMBL1567883

CCCCNCCC1CCc2cc(F)c3c(c21)CCO3

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.42
MTNR1B P49286 15/20 0.42
SIGMAR1 Q99720 2/20 0.41
ABCB11 O95342 1/20 0.41
USP2 O75604 1/20 0.41
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
NQO2 P16083 1/20 0.30

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
SCHEMBL1567881 0.81 MTNR1A (0.67) MTNR1AMTNR1BSIGMAR1ABCB11USP2
SCHEMBL1566407 0.81 MTNR1A (0.66) MTNR1AMTNR1BSIGMAR1ABCB11USP2
SCHEMBL1566592 0.78 MTNR1A (0.66) MTNR1AMTNR1BSIGMAR1ABCB11USP2
SCHEMBL1566259 0.74 MTNR1A (0.67) MTNR1AMTNR1BSIGMAR1ABCB11USP2
SCHEMBL3059049 0.74 MTNR1A (0.65) MTNR1AMTNR1BSIGMAR1ABCB11USP2
SCHEMBL5020073 0.71 MTNR1A (0.69) MTNR1AMTNR1BSIGMAR1ABCB11USP2
SCHEMBL3064191 0.70 MTNR1A (0.65) MTNR1AMTNR1BSIGMAR1ABCB11USP2
Hydrochloric Acid SCHEMBL4540516 0.70 MTNR1A (0.67) MTNR1AMTNR1BSIGMAR1ABCB11USP2
Hydrochloric Acid SCHEMBL4540512 0.70 MTNR1A (0.67) MTNR1AMTNR1BSIGMAR1ABCB11USP2
SCHEMBL2459178 0.68 MTNR1A (0.67) MTNR1AMTNR1BSIGMAR1ABCB11USP2

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 17 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
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

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

For each of this compound's patents that has machine-readable text (10 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 2/4885SIGMAR1 367/4885
US-20170020841-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE PRCP, COPS6, COPS5 MTNR1A 3487/4885MTNR1B 3104/4885SIGMAR1 66/4885
US-20090274733-A1 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 MTNR1A 3487/4885MTNR1B 3104/4885SIGMAR1 66/4885
US-20040018239-A1 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 MTNR1A 3487/4885MTNR1B 3104/4885SIGMAR1 66/4885
US-10098866-B2 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 MTNR1A 3487/4885MTNR1B 3104/4885SIGMAR1 66/4885
US-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS MTNR1A, MTNR1B, MC1R MTNR1A 1/4885MTNR1B 2/4885SIGMAR1 381/4885
US-20100267821-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME HRH4, HRH2, HRH3 MTNR1A 21/4885MTNR1B 34/4885SIGMAR1 279/4885
US-20090048325-A1 Prophylactic or Therapeutic Agent for Irritable Bowel Syndrome HRH4, HRH2, HRH3 MTNR1A 21/4885MTNR1B 34/4885SIGMAR1 279/4885
US-20170128409-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR ATTENTION DEFICIT/HYPERACTIVITY DISORDER AANAT, DBH, CHAT MTNR1A 99/4885MTNR1B 56/4885SIGMAR1 2898/4885
US-20100331402-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR ATTENTION DEFICIT/HYPERACTIVITY DISORDER AANAT, DBH, CHAT MTNR1A 99/4885MTNR1B 56/4885SIGMAR1 2898/4885

“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.