SCHEMBL3596929

SCHEMBL3596929

Cc1c(NC(=O)CC(C)(C)C)cc2c(c1C)OC(C)(C)C2(O)c1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
MAPT P10636 4/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 2/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
TSHR P16473 1/20 0.32
KCNQ2 O43526 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
HDAC3 O15379 1/20 0.31
HDAC7 Q8WUI4 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
SCHEMBL3594693 0.89 SMN1; SMN2 (0.41) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL3610551 0.87 KCNQ2 (0.34) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL3598883 0.86 HPGD (0.46) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL3595667 0.86 HPGD (0.36) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL3603310 0.85 ALDH1A1 (0.34) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL3599926 0.85 KCNQ2 (0.35) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL3594893 0.84 SMN1; SMN2 (0.41) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL3596555 0.84 HPGD (0.36) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL3605416 0.83 MEN1 (0.35) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL3598263 0.83 MEN1 (0.35) SMN1; SMN2HTTHPGDMEN1KMT2A

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 SMN1; SMN2 4180/4885HTT 4582/4885HPGD 1416/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SMN1; SMN2 4180/4885HTT 4582/4885HPGD 1416/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SMN1; SMN2 4180/4885HTT 4582/4885HPGD 1416/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SMN1; SMN2 4180/4885HTT 4582/4885HPGD 1416/4885

“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.