SCHEMBL3597923

SCHEMBL3597923

Cc1c(C)c2c(c(C)c1N)C(c1ccc(Br)cc1)C(C)(C)O2

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
IDO1 P14902 1/20 0.32

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
SCHEMBL2476852 0.88
SCHEMBL2473357 0.88
Hydrochloric Acid SCHEMBL4699794 0.87
SCHEMBL3595127 0.86 IDO1 (0.32) IDO1
SCHEMBL3599238 0.85 ALOX5 (0.33)
SCHEMBL3602073 0.83
Hydrochloric Acid SCHEMBL3604458 0.82 POLB (0.30)
SCHEMBL4757128 0.82
SCHEMBL8713361 0.81 LPL (0.35) DGAT1
SCHEMBL8713810 0.78 LPL (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346988-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2,3-DIHYDRO- BENZOFURAN COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-11-12 EP claimed
US-6878831-B2 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-04-12 US claimed
US-20040077712-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US claimed
EP-1346988-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2,3-DIHYDRO- BENZOFURAN COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-09-24 EP claimed
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
EP-1346988-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2,3-DIHYDRO- BENZOFURAN COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-11-12 EP disclosed
US-7420070-B2 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKODA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-02 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP disclosed
US-20050171184-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds AOKI ISAO (JP) 2005-08-04 US disclosed
US-6878831-B2 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-04-12 US disclosed
US-20040077712-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
EP-1346988-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2,3-DIHYDRO- BENZOFURAN COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-09-24 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 (6 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-20050171184-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds ALDH1A2, DHPS, DHODH DGAT1 2613/4885IDO1 1868/4885
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 DGAT1 956/4885IDO1 613/4885
US-20040077712-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds ALDH1A2, PARK7, DHPS DGAT1 1898/4885IDO1 1452/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 DGAT1 956/4885IDO1 613/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 DGAT1 956/4885IDO1 613/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 DGAT1 956/4885IDO1 613/4885

“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.