SCHEMBL3605965

SCHEMBL3605965

COc1cccc(-c2c(C)c(NC(=O)CC(C)(C)C)c(C)c3c2OCC3c2ccc(C(C)C)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C1 Q04828 1/20 0.33
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FFAR1 O14842 2/20 0.32
MAPT P10636 2/20 0.32
GNRHR P30968 1/20 0.32
BRD4 O60885 1/20 0.32
GCGR P47871 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
SCHEMBL3605861 0.90 MEN1 (0.35) MEN1KMT2AALDH1A1GAATP53
SCHEMBL3605222 0.90 NR1H4 (0.33) MEN1KMT2AKCNQ2
SCHEMBL3594774 0.89 KCNQ2 (0.32) MEN1KMT2AKCNQ2
SCHEMBL3607058 0.89 KCNQ2 (0.40) MEN1KMT2AALDH1A1GAALTB4R
SCHEMBL3587470 0.89 SMN1; SMN2 (0.34) MEN1KMT2AALDH1A1GAATP53
SCHEMBL3594362 0.88 HPGD (0.35) MEN1KMT2AAKR1C3AKR1C2KCNQ2
SCHEMBL3600243 0.88 MEN1 (0.36) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL3593892 0.88 FFAR1 (0.31) MEN1KMT2AKCNQ2FFAR1SMN1; SMN2
SCHEMBL3599503 0.87 HPGD (0.35) KMT2AALDH1A1TP53NPSR1MAPT
SCHEMBL3598232 0.87 MEN1 (0.38) MEN1KMT2AALDH1A1GAATSHR

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 1061/4885ALDH1A1 1463/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MEN1 3532/4885KMT2A 1061/4885ALDH1A1 1463/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MEN1 3532/4885KMT2A 1061/4885ALDH1A1 1463/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MEN1 3532/4885KMT2A 1061/4885ALDH1A1 1463/4885

“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.