SCHEMBL3607130

SCHEMBL3607130

Cc1c2c(c(Cc3ccc(C(C)C)cc3)c(C)c1NCc1ccccc1)OCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 3/20 0.36
SLC5A1 P13866 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ACHE P22303 2/20 0.33
HPGD P15428 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
SCHEMBL3605176 0.79 NPBWR1 (0.35) NPBWR1MCHR1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3593380 0.78 NPBWR1 (0.35) NPBWR1MCHR1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3601393 0.78 NPBWR1 (0.35) NPBWR1MCHR1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3598515 0.78 HTR2A (0.41) SLC5A2SLC5A1
SCHEMBL3606739 0.78 SLC5A2 (0.36) SLC5A2SLC5A1SMN1; SMN2GAANPC1
SCHEMBL3597136 0.77 SLC5A2 (0.39) SLC5A2SLC5A1
SCHEMBL3597317 0.76 MTNR1B (0.45) SLC5A2SLC5A1ALDH1A1KDM4EMAPT
SCHEMBL3594903 0.76 ALDH1A1 (0.34) NPBWR1MCHR1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3599627 0.76 KCNQ2 (0.35) SLC5A2SLC5A1L3MBTL1NPC1RAB9A
SCHEMBL4087573 0.76 SLC5A2 (0.36) SLC5A2SLC5A1SMN1; SMN2MAPK1NPC1

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 SLC5A2 2887/4885SLC5A1 2023/4885NPBWR1 56/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A2 2887/4885SLC5A1 2023/4885NPBWR1 56/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A2 2887/4885SLC5A1 2023/4885NPBWR1 56/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A2 2887/4885SLC5A1 2023/4885NPBWR1 56/4885

“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.