SCHEMBL3599208

SCHEMBL3599208

Cc1c(C)c2c(c(C)c1NC(=O)CC(C)(C)C)C(c1cccc(C=CC(=O)O)c1)CO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP2C9 P11712 1/20 0.36
KCNQ2 O43526 2/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
ALDH1A1 P00352 3/20 0.33
HDAC4 P56524 1/20 0.33
MEF2D Q14814 1/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.31
RHOA P61586 1/20 0.31
NPC1 O15118 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
SCHEMBL3599201 1.00 MEN1 (0.36) MEN1KMT2ACYP2C9KCNQ2GLA
SCHEMBL3612158 0.90 GPER1 (0.33) KCNQ2MAPTHPGDKDM4EPKM
SCHEMBL3612161 0.90 GPER1 (0.33) KCNQ2MAPTHPGDKDM4EPKM
SCHEMBL4810181 0.90 HTT (0.38) KCNQ2MAPTHPGDALDH1A1KDM4E
SCHEMBL3602932 0.89 KCNQ2 (0.37) MEN1KMT2ACYP2C9KCNQ2MAPT
SCHEMBL4810185 0.85 KCNQ2 (0.34) MEN1KMT2AKCNQ2HPGD
SCHEMBL4810192 0.85 KCNQ2 (0.34) MEN1KMT2AKCNQ2HPGD
SCHEMBL3600195 0.85 HPGD (0.40) MEN1KMT2AKCNQ2MAPTHPGD
SCHEMBL3596158 0.82 BRD4 (0.41) MEN1KMT2AKCNQ2HPGDALDH1A1
SCHEMBL14856317 0.80 CA12 (0.40) MAPTHPGDALDH1A1KDM4ERAB9A

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 MEN1 3532/4885KMT2A 1061/4885CYP2C9 184/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MEN1 3532/4885KMT2A 1061/4885CYP2C9 184/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MEN1 3532/4885KMT2A 1061/4885CYP2C9 184/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MEN1 3532/4885KMT2A 1061/4885CYP2C9 184/4885

“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.