SCHEMBL3605176

SCHEMBL3605176

Cc1c(Cc2ccc(C(C)C)cc2)c2c(c(C)c1NCc1ccccc1)C(C)CO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE10A Q9Y233 1/20 0.32
TP53 P04637 2/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 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
SCHEMBL3601393 0.89 NPBWR1 (0.35) NPBWR1MCHR1NPC1RAB9AMEN1
SCHEMBL3593380 0.89 NPBWR1 (0.35) NPBWR1MCHR1NPC1RAB9AMEN1
SCHEMBL3594903 0.86 ALDH1A1 (0.34) NPBWR1MCHR1NPC1RAB9AMEN1
SCHEMBL3607130 0.79 SLC5A2 (0.36) NPBWR1MCHR1NPC1RAB9AMEN1
SCHEMBL3599041 0.79 HTR1D (0.32)
SCHEMBL3608910 0.78 HTR1D (0.32)
SCHEMBL3599802 0.77 KCNQ2 (0.33) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL3606992 0.76 NPBWR1 (0.37) NPBWR1MCHR1NPC1RAB9AMEN1
SCHEMBL3591117 0.74 NPBWR1 (0.37) NPBWR1MCHR1NPC1RAB9AMEN1
SCHEMBL3601357 0.73 SLC5A2 (0.33)

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 NPBWR1 56/4885MCHR1 371/4885NPC1 1481/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NPBWR1 56/4885MCHR1 371/4885NPC1 1481/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NPBWR1 56/4885MCHR1 371/4885NPC1 1481/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NPBWR1 56/4885MCHR1 371/4885NPC1 1481/4885

“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.