SCHEMBL4042555

SCHEMBL4042555

COc1cc(CCl)c(CCl)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
HTR2A P28223 1/20 0.45
HMGCR P04035 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
TAAR1 Q96RJ0 3/20 0.42
MAPT P10636 1/20 0.42
TTR P02766 2/20 0.41
CA2 P00918 1/20 0.41
CYP19A1 P11511 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL29643005 1.00 CYP3A4 (0.45) CYP3A4HTR2AHMGCRPDE4APDE4B
SCHEMBL1886751 0.90 HTR2A (0.52) CYP3A4HTR2AHMGCRPDE4APDE4B
SCHEMBL3372657 0.89 TAAR1 (0.47) CYP3A4HTR2AHMGCRTAAR1MAPT
SCHEMBL13463385 0.85 TAAR1 (0.50) CYP3A4HTR2AHMGCRPDE4APDE4B
SCHEMBL5257930 0.85 HTR2A (0.44) CYP3A4HTR2AHMGCRPDE4APDE4B
SCHEMBL131156 0.84 HTR2A (0.48) HTR2ATAAR1CA2
SCHEMBL2542586 0.84 MTNR1A (0.44) CYP3A4HTR2AHMGCRPDE4APDE4B
Hydrochloric Acid SCHEMBL9602342 0.83 SLC6A4 (0.49) HTR2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9602348 0.83 TAAR1 (0.58) HTR2ATAAR1
SCHEMBL10730344 0.79 TAAR1 (0.60) CYP3A4HTR2ATAAR1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390351-B1 NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE KOESTER HUBERT (DE) 2025-02-26 EP disclosed
US-11008282-B2 Bicyclic-compounds for use as a medicament, in particular for treatment of parkinson's disease KOESTER HUBERT (CH) 2021-05-18 US disclosed
US-20180370906-A1 NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE Koester, Hubert (CH) 2018-12-27 US disclosed
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 US disclosed
US-7456162-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-7101867-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 US disclosed
US-20050187238-A1 Benzofuran derivatives, their production and use OHKAWA SHIGENORI (JP) 2005-08-25 US disclosed
EP-1136477-B1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-10 EP disclosed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
US-6262087-B1 HAVE HIGH AFFINITY FOR D4 RECEPTORS; USEFUL IN THE TREATMENT OF CERTAIN PSYCHIATRIC AND NEUROLOGIC DISORDERS, INCLUDING PSYCHOSIS, DEPRESSION AND ANXIETY. H. LUNDBECK A/S (DK) 2001-07-17 US disclosed
EP-0946542-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP disclosed
WO-1998028293-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H.LUNDBECK A/S (DK) 1998-07-02 WO disclosed
US-5318963-A Heterocyclic hydrazide derivatives of monocyclic β-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1994-06-07 US disclosed
US-5066658-A Enzyme Inhibitors; Bronchodilators; Antiinflammatory Agents ORTHO PHARMACEUTICAL CORPORATION (US) 1991-11-19 US disclosed
EP-0420069-A2 Heterocyclic hydrazide derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1991-04-03 EP disclosed
US-4958029-A Process for the production of isoindoline derivatives, novel intermediates and process for their production BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
US-4795242-A ELECTROCONDUCTIVITY UNIVERSITY OF CALIFORNIA (US) 1989-01-03 US disclosed
EP-0275064-A2 Process for the production of isoindoline derivatives, novel intermediates and process for their production Banyu Pharmaceutical Co., Ltd. (JP) 1988-07-20 EP disclosed
US-4152527-A 15-Substituted-ω-pentanorprostaglandins PFIZER INC. (US) 1979-05-01 US 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-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO CYP3A4 3955/4885HTR2A 1719/4885HMGCR 2531/4885
US-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 CYP3A4 92/4885HTR2A 380/4885HMGCR 1646/4885
US-20180370906-A1 NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE COMT, DBH, PNMT CYP3A4 188/4885HTR2A 177/4885HMGCR 517/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 CYP3A4 3321/4885HTR2A 1013/4885HMGCR 3339/4885
US-11008282-B2 Bicyclic-compounds for use as a medicament, in particular for treatment of parkinson's disease COMT, PNMT, DBH CYP3A4 133/4885HTR2A 169/4885HMGCR 352/4885

“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.