SCHEMBL6810066

SCHEMBL6810066

CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)OCC3

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.79
MTNR1B P49286 20/20 0.79
ABCB11 O95342 1/20 0.73
SIGMAR1 Q99720 1/20 0.73
USP2 O75604 1/20 0.73
NQO2 P16083 1/20 0.57

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
SCHEMBL6810063 1.00 MTNR1A (0.79) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL3065294 0.88 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
Ramelteon SCHEMBL29237 0.85 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL29827337 0.85 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL338730 0.85 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
Ramelteon SCHEMBL29380213 0.85 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
(R)-Ramelteon SCHEMBL1566122 0.85 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL3069652 0.83 MTNR1A (1.00) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL2459178 0.81 MTNR1A (0.67) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL2459176 0.81 MTNR1A (0.67) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135633-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS ON TARGET THERAPEUTICS LLC 2022-05-05 US disclosed
US-11254720-B2 Methods and systems for designing and/or characterizing soluble lipidated ligand agents ON TARGET THERAPEUTICS LLC (US) 2022-02-22 US disclosed
US-20190135882-A1 Methods and Systems for Designing and/or Characterizing Soluble Lipidated Ligand Agents ON TARGET THERAPEUTICS LLC 2019-05-09 US disclosed
US-10233219-B2 Methods and systems for designing and/or characterizing soluble lipidated ligand agents TUFTS MEDICAL CENTER (US) 2019-03-19 US disclosed
US-20160052982-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS ON TARGET THERAPEUTICS LLC 2016-02-25 US disclosed
US-20150352038-A1 A DOSAGE FORM FOR ADMINISTERING AN ACTIVE PRINCIPLE FOR ACCELERATED SLEEP INDUCTION AND/OR FOR TREATING SLEEP DISORDERS AND/OR FOR TREATING A CENTRAL NERVOUS SYSTEM DISORDER ROSSELLO, Raphael (FR) 2015-12-10 US disclosed
EP-1100508-B8 PHARMACEUTICAL COMBINATION COMPRISING A TRICYCLIC COMPOUND AND AT LEAST ONE OF ZOLPIDEM, ZOPICLONE AND BROTIZOLAM FOR TREATING OR PREVENTING SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-07 EP disclosed
EP-1100508-B1 PHARMACEUTICAL COMBINATION COMPRISING A TRICYCLIC COMPOUND AND AT LEAST ONE OF ZOLPIDEM, ZOPICLONE AND BROTIZOLAM FOR TREATING OR PREVENTING SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-08-27 EP disclosed
EP-1100508-A2 PHARMACEUTICAL COMBINATION COMPRISING A TRICYCLIC COMPOUND AND AT LEAST ONE OF ZOLPIDEM, ZOPICLONE AND BROTIZOLAM FOR TREATING OR PREVENTING SLEEP DISORDERS Takeda Chemical Industries, Ltd. (JP) 2001-05-23 EP disclosed
WO-1999063977-A3 PHARMACEUTICAL COMBINATION COMPRISING A TRICYCLIC COMPOUND AND AT LEAST ONE OF ZOLPIDEM, ZOPICLONE, TRIAZOLAM AND BROTIZOLAM FOR TREATING OR PREVENTING SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-03-29 WO disclosed
WO-1999063977-A2 PHARMACEUTICAL COMBINATION COMPRISING A TRICYCLIC COMPOUND AND AT LEAST ONE OF ZOLPIDEM, ZOPICLONE, TRIAZOLAM AND BROTIZOLAM FOR TREATING OR PREVENTING SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-16 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-20220135633-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS LDLR, HDLBP, LIPG MTNR1A 3038/4885MTNR1B 3448/4885ABCB11 4014/4885
US-11254720-B2 Methods and systems for designing and/or characterizing soluble lipidated ligand agents LDLR, HDLBP, LIPG MTNR1A 3038/4885MTNR1B 3448/4885ABCB11 4014/4885
US-20190135882-A1 Methods and Systems for Designing and/or Characterizing Soluble Lipidated Ligand Agents LDLR, HDLBP, LIPG MTNR1A 3038/4885MTNR1B 3448/4885ABCB11 4014/4885
US-20160052982-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS LDLR, HDLBP, LIPG MTNR1A 3038/4885MTNR1B 3448/4885ABCB11 4014/4885
US-10233219-B2 Methods and systems for designing and/or characterizing soluble lipidated ligand agents LDLR, HDLBP, LIPG MTNR1A 3038/4885MTNR1B 3448/4885ABCB11 4014/4885

“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.