SCHEMBL3606926

SCHEMBL3606926

Cc1cc(C)c(C(CO)c2ccc(Br)cc2)c(O)c1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
DHODH Q02127 2/20 0.31
TBXA2R P21731 1/20 0.31
CYP17A1 P05093 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TEAD4 Q15561 1/20 0.30
IGF1R P08069 1/20 0.30
CYP1A2 P05177 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL3605778 0.86 PTGS1 (0.41) TBXA2RTEAD4THRB
SCHEMBL3605125 0.86 HPGD (0.38) TBXA2RSLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL8743044 0.72 GAA (0.37) HTR2ATBXA2RSLC6A2SLC6A4SLC6A3
SCHEMBL3600389 0.71 PTGS1 (0.43) MEN1KMT2A
SCHEMBL3594816 0.70 TBXA2R (0.33) TBXA2R
SCHEMBL2202882 0.67 ESR1 (0.39) TBXA2RSLC6A2SLC6A3CYP1A2
SCHEMBL3398681 0.67 HTR2A (0.63) HTR2ATBXA2RSLC6A2SLC6A4SLC6A3
SCHEMBL2201112 0.65 TDP1 (0.40) CYP1A2MEN1KMT2ATHRB
SCHEMBL3606698 0.65 PTGS1 (0.43) SLC6A2SLC6A4SLC6A3THRB
SCHEMBL3600620 0.64 GAA (0.44) DHODHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 HTR2A 360/4885DHODH 2079/4885TBXA2R 18/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTR2A 360/4885DHODH 2079/4885TBXA2R 18/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTR2A 360/4885DHODH 2079/4885TBXA2R 18/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTR2A 360/4885DHODH 2079/4885TBXA2R 18/4885

“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.