SCHEMBL3611267

SCHEMBL3611267

CCC(Oc1cc(C(C)C)ccc1C1COc2c(C)c(C)c(NC(=O)CC(C)(C)C)c(C)c21)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.32
ACHE P22303 3/20 0.32
KCNQ2 O43526 2/20 0.32
PPARA Q07869 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL4816784 0.86 KCNQ2 (0.30) KCNQ2PPARA
SCHEMBL3598141 0.81 L3MBTL1 (0.35) KCNQ2SMN1; SMN2L3MBTL1MEN1HPGD
SCHEMBL3590832 0.81 L3MBTL1 (0.35) KCNQ2SMN1; SMN2L3MBTL1MEN1HPGD
SCHEMBL3595273 0.81 L3MBTL1 (0.35) KCNQ2SMN1; SMN2L3MBTL1MEN1HPGD
SCHEMBL3605705 0.77 L3MBTL1 (0.35) KCNQ2SMN1; SMN2L3MBTL1MEN1HPGD
SCHEMBL3593910 0.76 KCNQ2 (0.33) KCNQ2SMN1; SMN2L3MBTL1MEN1HPGD
SCHEMBL3602402 0.75 FFAR1 (0.32) KCNQ2SMN1; SMN2L3MBTL1
SCHEMBL3605084 0.75 KCNQ2 (0.35) KCNQ2L3MBTL1MEN1KMT2A
SCHEMBL3600195 0.74 HPGD (0.40) KCNQ2SMN1; SMN2L3MBTL1MEN1HPGD
SCHEMBL3598682 0.74 L3MBTL1 (0.34) KCNQ2SMN1; SMN2L3MBTL1MEN1HPGD

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 BCHE 2613/4885ACHE 2032/4885KCNQ2 630/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 BCHE 2613/4885ACHE 2032/4885KCNQ2 630/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 BCHE 2613/4885ACHE 2032/4885KCNQ2 630/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 BCHE 2613/4885ACHE 2032/4885KCNQ2 630/4885

“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.