SCHEMBL135600

SCHEMBL135600

CCC(=O)NCCC1CCc2ccc(OC)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 1.00
NQO2 P16083 18/20 1.00
MTNR1B P49286 18/20 1.00

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
SCHEMBL135601 1.00 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL4687318 1.00 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL8887234 0.93 MTNR1A (0.87) MTNR1ANQO2MTNR1B
SCHEMBL8886440 0.91 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL8886578 0.89 MTNR1A (0.81) MTNR1ANQO2MTNR1B
SCHEMBL4689191 0.89 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL4690452 0.89 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL7956121 0.89 MTNR1A (1.00) MTNR1ANQO2MTNR1B
SCHEMBL7943795 0.88 MTNR1A (0.79) MTNR1ANQO2MTNR1B
SCHEMBL7950141 0.88 MTNR1A (0.79) MTNR1ANQO2MTNR1B

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235789-B1 GLANDULAR DISORDERS; SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US claimed
JP-9140396-A None JP disclosed
US-20120184594-A1 PHENYLPYRROLIDINE COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2012-07-19 US disclosed
US-20120059053-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN FERRER INTERNATIONAL, S.A. (ES) 2012-03-08 US disclosed
EP-2203422-B1 PHENYLPYRROLIDINE COMPOUNDS FERRER INT (ES) 2011-06-22 EP disclosed
EP-2205579-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN FERRER INTERNACIONAL, S.A. (ES) 2010-07-14 EP disclosed
EP-2203422-A1 PHENYLPYRROLIDINE COMPOUNDS Ferrer Internacional, S.A. (ES) 2010-07-07 EP disclosed
WO-2009053443-A2 INDANE COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2009-04-30 WO disclosed
WO-2009053441-A1 PHENYLPYRROLIDINE COMPOUNDS FERRER INTERNACIONAL S.A. (ES) 2009-04-30 WO disclosed
WO-2009053444-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN FERRER INTERNACIONAL, S.A. (ES) 2009-04-30 WO 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-6235789-B1 GLANDULAR DISORDERS; SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US 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
EP-0781271-B1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-06-07 EP 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
EP-0781271-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-02 EP disclosed
JP-H09140396-A PRODUCTION OF OPTICAL ACTIVATOR BY BACTERIUM TAKEDA CHEM IND LTD 1997-06-03 JP disclosed
WO-1996008466-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-21 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 (2 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-20120059053-A1 COMPOUNDS OF 2,3-DIHYDRO-BENZOFURAN MTNR1A, MTNR1B, CRY2 MTNR1A 1/4885NQO2 1107/4885MTNR1B 2/4885
US-20120184594-A1 PHENYLPYRROLIDINE COMPOUNDS MTNR1A, MTNR1B, MC4R MTNR1A 1/4885NQO2 1798/4885MTNR1B 2/4885

“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.