SCHEMBL1395803

SCHEMBL1395803

CCOC(=O)c1cn2c3c(cccc13)CCC2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.54
MTNR1B P49286 7/20 0.54
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ELANE P08246 1/20 0.43

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
SCHEMBL2259815 0.96 MTNR1A (0.50) MTNR1AMTNR1BHTR2AHTR2CKDM4E
SCHEMBL3812256 0.92 MTNR1A (0.51) MTNR1AMTNR1BHTR2AHTR2CKDM4E
SCHEMBL5434257 0.84 KDM4E (0.54) MTNR1AMTNR1BKDM4EUSP2ALDH1A1
SCHEMBL8078291 0.83 MTNR1A (0.46) MTNR1AMTNR1BKDM4EMEN1KMT2A
SCHEMBL12450012 0.83 MTNR1A (0.57) MTNR1AMTNR1BHTR2AHTR2CKDM4E
SCHEMBL2020434 0.81 MTNR1A (0.59) MTNR1AMTNR1BHTR2AHTR2CKDM4E
SCHEMBL1395799 0.80 HTR2A (0.52) MTNR1AMTNR1BHTR2AHTR2CKDM4E
SCHEMBL2023775 0.79 HTR2A (0.51) MTNR1AMTNR1BHTR2AHTR2CKMT2A
SCHEMBL1719811 0.79 MTNR1A (0.51) MTNR1AMTNR1BHTR2AHTR2CKDM4E
SCHEMBL8081516 0.78 TP53 (0.47) MTNR1AMTNR1BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9642847-B2 Combinational compositions and methods for treatment of cancer ARQULE, INC. (US) 2017-05-09 US disclosed
US-9642847-B2 Combinational compositions and methods for treatment of cancer ARQULE, INC. (US) 2017-05-09 US disclosed
US-9642847-B2 Combinational compositions and methods for treatment of cancer ARQULE, INC. (US) 2017-05-09 US disclosed
US-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. 2016-12-08 US disclosed
US-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. 2016-12-08 US disclosed
US-9447088-B2 Compositions and methods for treatment of cancer ARQULE, INC. (US) 2016-09-20 US disclosed
US-9447088-B2 Compositions and methods for treatment of cancer ARQULE, INC. (US) 2016-09-20 US disclosed
US-9447088-B2 Compositions and methods for treatment of cancer ARQULE, INC. (US) 2016-09-20 US disclosed
US-20160137644-A1 METHOD FOR PRODUCING TRICYCLIC HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-05-19 US disclosed
US-20160137644-A1 METHOD FOR PRODUCING TRICYCLIC HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-05-19 US disclosed
US-6867198-B2 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY (US) 2005-03-15 US disclosed
EP-1483265-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2004-12-08 EP disclosed
US-6743785-B2 KINASE INHIBITORS; ANNULATED PYRROLE AND INDOLE RINGS; PYRROLO (3,2,1-HI)INDOLES; 3-(5,5-DIMETHYL-5,6-DIHYDRO-4H-PYRROLO (3,2,1-IJ)QUINOLIN-1-YL)-4-(1,2,3,4-TETRAHYDRO-(1,4) DIAZEPINO(6,7,1-HI)INDOL-7-YL)-PYRROLE-2,5-DIONE ELI LILLY AND COMPANY 2004-06-01 US disclosed
EP-1250334-B1 Medicaments useful for the treatment of proliferative diseases LILLY CO ELI (US) 2004-05-19 EP disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 US disclosed
WO-2003076442-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 WO disclosed
WO-2003076442-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 WO disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 US disclosed
US-5198437-A 5-hydroxytryptamine antagonist DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1993-03-30 US disclosed
EP-0322016-A1 1,7-Annelated indolecarboxylic acid esters and -amides DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1989-06-28 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 (4 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-20030092676-A1 Agents and method for the treatment of proliferative diseases MKI67, CDKN1A, CDK4 MTNR1A 1002/4885MTNR1B 1120/4885HTR2A 4207/4885
US-20160137644-A1 METHOD FOR PRODUCING TRICYCLIC HETEROCYCLIC COMPOUND CYP3A4, CYP3A5, CYP3A43 MTNR1A 4369/4885MTNR1B 4493/4885HTR2A 2490/4885
US-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER MKI67, NUP205, TP53 MTNR1A 1569/4885MTNR1B 1201/4885HTR2A 4255/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 MTNR1A 904/4885MTNR1B 1009/4885HTR2A 4336/4885

“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.