SCHEMBL3594893

SCHEMBL3594893

Cc1ccccc1C1(O)c2cc(NC(=O)CC(C)(C)C)c(C)c(C)c2OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HPGD P15428 5/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KCNQ2 O43526 2/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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 0.88 SMN1; SMN2 (0.41) SMN1; SMN2HTTHDAC1HDAC2HPGD
SCHEMBL3594799 0.88 L3MBTL1 (0.38) SMN1; SMN2HTTHDAC1HDAC2HPGD
SCHEMBL3596929 0.84 SMN1; SMN2 (0.38) SMN1; SMN2HTTHDAC1HDAC2HPGD
SCHEMBL3598883 0.84 HPGD (0.46) SMN1; SMN2HTTHDAC1HDAC2HPGD
SCHEMBL3595777 0.84 SMN1; SMN2 (0.37) SMN1; SMN2HTTHDAC1HDAC2HPGD
SCHEMBL3592381 0.84 HDAC1 (0.45) SMN1; SMN2HTTHDAC1HDAC2HPGD
SCHEMBL3599926 0.82 KCNQ2 (0.35) SMN1; SMN2HTTHDAC1HDAC2HPGD
SCHEMBL3596555 0.81 HPGD (0.36) SMN1; SMN2HTTHDAC1HDAC2HPGD
SCHEMBL3595667 0.81 HPGD (0.36) SMN1; SMN2HTTHDAC1HDAC2HPGD
SCHEMBL3610551 0.81 KCNQ2 (0.34) SMN1; SMN2HTTHDAC1HDAC2HPGD

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 4582/4885HDAC1 286/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SMN1; SMN2 4180/4885HTT 4582/4885HDAC1 286/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SMN1; SMN2 4180/4885HTT 4582/4885HDAC1 286/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SMN1; SMN2 4180/4885HTT 4582/4885HDAC1 286/4885

“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.