SCHEMBL7070546

SCHEMBL7070546

CC(=O)Nc1ccc2[nH]c3cc(OCCNc4ccccc4C(C)O)ccc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
KMT2A Q03164 1/20 0.50
MAOA P21397 1/20 0.43
KIF11 P52732 1/20 0.38
TTK P33981 2/20 0.38
MAPK8 P45983 2/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
ESR1 P03372 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL6905934 0.86 KIF11 (0.42) KDM4EKMT2AKIF11ALDH1A1HPGD
SCHEMBL6912324 0.86 KIF11 (0.42) KDM4EKMT2AKIF11ALDH1A1HPGD
SCHEMBL6912027 0.86 KIF11 (0.42) KDM4EKMT2AKIF11ALDH1A1HPGD
SCHEMBL7072940 0.84 KIF11 (0.35) KDM4EKMT2AMAOAKIF11ALDH1A1
SCHEMBL7070543 0.84 MTNR1A (0.50) KDM4EMTNR1AMTNR1BKMT2AMAOA
SCHEMBL7069439 0.81 KDM4E (0.42) KDM4EMTNR1AMTNR1BKMT2AMAOA
SCHEMBL7070541 0.79 MTNR1A (0.51) KDM4EMTNR1AMTNR1BKMT2AMAOA
SCHEMBL7113382 0.77 MTNR1A (0.60) KDM4EMTNR1AMTNR1BKMT2AMAOA
SCHEMBL7106197 0.76 L3MBTL1 (0.53) KDM4EMTNR1AMTNR1BKMT2AMAOA
SCHEMBL7980653 0.75 MAPT (0.40) KDM4EKMT2AALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882707-B1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 2003-10-08 EP disclosed
US-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-07-24 US disclosed
US-20030073644-A1 Combinations comprising a beta-agonist and a further antidiabetic agent SMITHKLINE BEECHAM P.L.C. 2003-04-17 US disclosed
US-6545053-B1 Aminoethoxyfluorene derivatives are beta-3 adrenaline receptor agonists and are useful as drugs for the treatment and prevention of diabetes, obesity, hyperlipemia, etc. ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-04-08 US disclosed
US-6187809-B1 BETA-3 ADRENALINE RECEPTOR AGONIST DRUGS FOR THE TREATMENT OF DIABETES, OBESITY, AND HYPERLIPEMIA; 2-(N-(2-(DIBENZOFURAN-3-YLOXY)ETHYL)AMINO)-1-PHENYLETHANOL, FOR EXAMPLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-02-13 US disclosed
US-6037362-A CARBAZOLE DERIVATIVES; DEPROTECTING, AMINATION; ANTILIPEMIC AND ANTIDIABETIC AGENTS; B-ADRENALINE RECEPTOR AGONISTS; DIETETICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-03-14 US disclosed
EP-0882707-A1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-12-09 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 (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-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ADRB3, MC2R, NR3C1 KDM4E 2447/4885MTNR1A 109/4885MTNR1B 150/4885
US-20030073644-A1 Combinations comprising a beta-agonist and a further antidiabetic agent ADRB1, ADRB2, ADRB3 KDM4E 4572/4885MTNR1A 100/4885MTNR1B 55/4885

“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.