SCHEMBL1137563

SCHEMBL1137563

COC(=O)COc1cccc2[nH]ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.53
HTR1A P08908 10/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
LMNA P02545 2/20 0.52
ADRB2 P07550 2/20 0.52
ADRB1 P08588 2/20 0.52
ADRB3 P13945 2/20 0.52
DRD4 P21917 2/20 0.52
DRD3 P35462 2/20 0.52
MAPK1 P28482 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
CYP2D6 P10635 1/20 0.52
THRB P10828 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL15252019 0.86 F9 (0.49) HTR1BHTR1ACYP1A2CYP3A4LMNA
SCHEMBL1137564 0.84 KDM4E (0.58) HTR1BHTR1ACYP1A2CYP3A4LMNA
SCHEMBL4217466 0.82 HTR1A (0.50) HTR1BHTR1ACYP1A2CYP3A4LMNA
SCHEMBL3873208 0.81 HTR1A (0.56) HTR1BHTR1ACYP1A2CYP3A4LMNA
SCHEMBL4653784 0.77 HTR1A (0.54) HTR1ACYP1A2CYP3A4LMNAADRB2
SCHEMBL8801424 0.77 HTR1B (0.50) HTR1BHTR1ACYP1A2CYP3A4LMNA
SCHEMBL6496279 0.77 BCHE (0.57) CYP1A2LMNAADRB3MEN1KMT2A
SCHEMBL827777 0.76 HTR1B (0.59) HTR1BHTR1ACYP1A2CYP3A4LMNA
SCHEMBL30733595 0.76 HTR1A (0.50) HTR1BHTR1ACYP1A2CYP3A4LMNA
SCHEMBL31750332 0.76 GLS (0.50) CYP1A2CYP3A4LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766344-B1 EP1 RECEPTOR LIGANDS ESTEVE LABOR DR (ES) 2017-05-03 EP disclosed
US-9518015-B2 EP1 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-12-13 US disclosed
US-20140323475-A1 EP1 RECEPTOR LIGANDS ESTEVE PHARMACEUTICALS, S.A. (ES) 2014-10-30 US disclosed
EP-2766344-A1 EP1 RECEPTOR LIGANDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2014-08-20 EP disclosed
EP-2639220-A1 Indole derivatives and their use as antibiotics Omnia Molecular, S. L. (ES) 2013-09-18 EP disclosed
WO-2013037960-A1 EP1 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-21 WO disclosed
EP-2570125-A1 Ep1 receptor ligands Almirall, S.A. (ES) 2013-03-20 EP disclosed
EP-1812388-B1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2011-02-23 EP disclosed
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2009-11-26 US disclosed
EP-1812388-A1 SULFONAMIDE PERT-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE Decode Genetics (US) 2007-08-01 EP disclosed
WO-2006044000-A1 SULFONAMIDE PERT-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS (US) 2006-04-27 WO disclosed
US-20050203151-A1 Novel compounds, compositions and uses thereof for treatment of metabolic disorders and related conditions KALYPSYS, INC. (US) 2005-09-15 US disclosed
WO-2005060958-A1 (5- (2-PHENYL)-THIAZOL-5-YLMETHOXY)-INDOL-1-YL) -ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE HUMAN PPAR-DELTA RECEPTOR FOR THE TREATMENT OF METABOLIC DISORDERS SUCH AS TYPE 2 DIABETES KALYPSYS, INC. (US) 2005-07-07 WO disclosed
CN-1179945-C Indole derivatives, process for preparation of same and use thereof СҰҩƷ��ҵ��ʽ���� 2004-12-15 CN disclosed
CN-1427824-A Indole derivatives, process for preparation of same and use thereof ONO PHARMACEUTICAL CO (JP) 2003-07-02 CN 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 (3 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-20050203151-A1 Novel compounds, compositions and uses thereof for treatment of metabolic disorders and related conditions PPARG, PPARD, PPARA HTR1B 1908/4885HTR1A 2049/4885CYP1A2 657/4885
US-20140323475-A1 EP1 RECEPTOR LIGANDS PTGER1, PTGER2, PTGIR HTR1B 310/4885HTR1A 205/4885CYP1A2 706/4885
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE PTGIS, PTGIR, PTGS2 HTR1B 1852/4885HTR1A 2114/4885CYP1A2 797/4885

“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.