SCHEMBL3605861

SCHEMBL3605861

COc1ccc(-c2c(C)c(NC(=O)CC(C)(C)C)c(C)c3c2OCC3c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 2/20 0.35
CACNA1H O95180 1/20 0.34
MAPT P10636 4/20 0.34
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
RECQL P46063 1/20 0.33
TP53 P04637 2/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
PTGS2 P35354 1/20 0.32
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
POLB P06746 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
SCHEMBL3607378 0.91 L3MBTL1 (0.33) MEN1KMT2ARAB9ACACNA1HMAPT
SCHEMBL3605965 0.90 MEN1 (0.33) MEN1KMT2AMAPTKCNQ3KCNQ2
SCHEMBL3587470 0.90 SMN1; SMN2 (0.34) MEN1KMT2ARAB9AMAPTKCNQ2
SCHEMBL3600944 0.89 KCNQ3 (0.33) MEN1KMT2AMAPTKCNQ3KCNQ2
SCHEMBL3594145 0.88 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2ALOX15
SCHEMBL3609831 0.88 AAK1 (0.33) KCNQ3KCNQ2ALDH1A1SMN1; SMN2
SCHEMBL3592392 0.86 KCNQ2 (0.38) KCNQ3KCNQ2TP53ALDH1A1SMN1; SMN2
SCHEMBL3595723 0.86 KCNQ2 (0.38) KCNQ3KCNQ2TP53ALDH1A1SMN1; SMN2
SCHEMBL3605799 0.86 L3MBTL1 (0.30)
SCHEMBL3603426 0.86 L3MBTL1 (0.30)

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 1061/4885RAB9A 631/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MEN1 3532/4885KMT2A 1061/4885RAB9A 631/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MEN1 3532/4885KMT2A 1061/4885RAB9A 631/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MEN1 3532/4885KMT2A 1061/4885RAB9A 631/4885

“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.