SCHEMBL3607051

SCHEMBL3607051

COc1cc(C)c(N(Cc2ccccc2)C(=O)CC(C)(C)C)c(C)c1Cc1ccc(C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.39
GAA P10253 1/20 0.39
CETP P11597 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CNR2 P34972 1/20 0.35
LPAR1 Q92633 2/20 0.35
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34

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
SCHEMBL3602179 0.89 MEN1 (0.38) NR1H4GAAMEN1KMT2AKDM4E
SCHEMBL3600373 0.81 HDAC1 (0.37) GAAMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL3596070 0.79 GAA (0.35) GAAMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4082332 0.78 MEN1 (0.36) GAAMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL3596072 0.77 GAA (0.36) GAAMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL3598345 0.75 L3MBTL1 (0.43) MEN1KMT2ASLC5A1SLC5A2BCHE
SCHEMBL3605468 0.72 HIF1A (0.39) GAAMEN1KMT2ASLC5A1SLC5A2
SCHEMBL13503701 0.72 KMT2A (0.47) MEN1KMT2ASMN1; SMN2
SCHEMBL3604919 0.70 SLC5A2 (0.43) GAASLC5A1SLC5A2BCHEACHE
SCHEMBL3594629 0.69 SLC5A1 (0.42) GAASLC5A1SLC5A2

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 NR1H4 179/4885GAA 4694/4885CETP 3105/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NR1H4 179/4885GAA 4694/4885CETP 3105/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NR1H4 179/4885GAA 4694/4885CETP 3105/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NR1H4 179/4885GAA 4694/4885CETP 3105/4885

“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.