SCHEMBL4821994

SCHEMBL4821994

COc1ccccc1CNc1c(C)c(C)c2c(c1C)C(c1ccc(C(C)C)cc1)C1(CCN(C)CC1)O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.35
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRM5 P08912 2/20 0.33
HPGD P15428 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
GPR65 Q8IYL9 1/20 0.33
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 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
SCHEMBL4821997 0.80
SCHEMBL2908030 0.75 F10 (0.38) OPRM1ALDH1A1KDM4EMAPTMEN1
SCHEMBL4042757 0.75 CYP1A2 (0.35) HPGD
SCHEMBL4042911 0.74 HPGD (0.32) HPGD
SCHEMBL2907932 0.73 HTR1F (0.37) ALDH1A1MAPT
SCHEMBL2905550 0.72 CCR4 (0.35) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2904763 0.72 F10 (0.36) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL4036102 0.72 HPGD (0.33) HPGD
SCHEMBL2912430 0.69 NPBWR1 (0.36) ALDH1A1L3MBTL1GAAMAPTMEN1
Hydrochloric Acid SCHEMBL2912613 0.69 ALDH1A1 (0.37) ALDH1A1HPGDMAPK1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 EP disclosed
US-6479536-B1 Benzofuran derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 US disclosed
US-20020160996-A1 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-10-31 US disclosed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 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 (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-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 TACR1 2612/4885OPRM1 578/4885OPRK1 595/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 TACR1 1092/4885OPRM1 484/4885OPRK1 724/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 TACR1 3646/4885OPRM1 499/4885OPRK1 644/4885

“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.