SCHEMBL3591186

SCHEMBL3591186

CCC1COc2c(Cc3ccc(C(C)C)cc3)c(C)cc(C)c21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 4/20 0.32
SLC5A1 P13866 3/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
NFE2L2 Q16236 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31

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
SCHEMBL3602070 0.91 SLC5A2 (0.32) SLC5A2SLC5A1HTR1DHTR1BNFE2L2
SCHEMBL3601357 0.85 SLC5A2 (0.33) SLC5A2SLC5A1HTR1DHTR1BNFE2L2
SCHEMBL3599655 0.84 SLC5A1 (0.34) SLC5A2SLC5A1HTR1DHTR1BNFE2L2
SCHEMBL3601298 0.82 HTR1D (0.31) HTR1DHTR1B
SCHEMBL3605355 0.81 HTR1D (0.30) HTR1DHTR1B
SCHEMBL3593380 0.75 NPBWR1 (0.35) LTB4RLTB4R2
SCHEMBL3599780 0.73
SCHEMBL3598212 0.72 L3MBTL1 (0.32)
SCHEMBL3602501 0.72
SCHEMBL3602219 0.72 SLC5A2 (0.42) SLC5A2SLC5A1HTR1DHTR1B

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 SLC5A2 2887/4885SLC5A1 2023/4885HTR1D 304/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A2 2887/4885SLC5A1 2023/4885HTR1D 304/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A2 2887/4885SLC5A1 2023/4885HTR1D 304/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A2 2887/4885SLC5A1 2023/4885HTR1D 304/4885

“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.