SCHEMBL3609677

SCHEMBL3609677

Cc1c(NC(=O)CC(C)(C)C)c(C)c2c(c1-c1ccccn1)OCC2c1ccc(C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KCNQ2 O43526 3/20 0.32
DRD4 P21917 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
PANK3 Q9H999 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNQ3 O43525 1/20 0.30
PRCP P42785 1/20 0.30

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
SCHEMBL3590847 0.88 KCNQ3 (0.33) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL3587470 0.88 SMN1; SMN2 (0.34) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL3603081 0.88 KCNQ3 (0.31) ALDH1A1SMN1; SMN2L3MBTL1KCNQ2KCNQ3
SCHEMBL3600072 0.88
SCHEMBL3611485 0.86 HTT (0.31) SMN1; SMN2
SCHEMBL3609831 0.86 AAK1 (0.33) ALDH1A1SMN1; SMN2L3MBTL1KCNQ2KCNQ3
SCHEMBL3601500 0.85 NPC1 (0.33) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL3600290 0.85 ADORA2A (0.36) RAB9AKCNQ2KDM4EMEN1KMT2A
SCHEMBL3598141 0.85 L3MBTL1 (0.35) ALDH1A1SMN1; SMN2RAB9AL3MBTL1KCNQ2
SCHEMBL3595273 0.85 L3MBTL1 (0.35) ALDH1A1SMN1; SMN2RAB9AL3MBTL1KCNQ2

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 ALDH1A1 1463/4885LMNA 4417/4885SMN1; SMN2 4180/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885LMNA 4417/4885SMN1; SMN2 4180/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885LMNA 4417/4885SMN1; SMN2 4180/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885LMNA 4417/4885SMN1; SMN2 4180/4885

“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.