SCHEMBL3603966

SCHEMBL3603966

Cc1c(NC(=O)NCCCO)c(C)c2c(c1-c1ccccc1)OCC2c1ccc(C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.36
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR3 P51677 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
MAPK1 P28482 1/20 0.32
PIK3CA P42336 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL3604673 0.95 EPHX1 (0.37) EPHX1DRD2DRD4DRD3ALDH1A1
SCHEMBL3600339 0.89 EPHX1 (0.39) EPHX1DRD2DRD4DRD3ALDH1A1
SCHEMBL3606491 0.88 ALDH1A1 (0.34) EPHX1ALDH1A1SMN1; SMN2L3MBTL1CCR3
SCHEMBL3604932 0.87 L3MBTL1 (0.34) EPHX1ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL3605234 0.86 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2L3MBTL1RAB9ABRD4
SCHEMBL3605265 0.86 EPHX1 (0.40) EPHX1DRD2DRD4DRD3ALDH1A1
SCHEMBL3607031 0.85 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2L3MBTL1BRD4POLB
SCHEMBL3605134 0.85 EPHX1 (0.36) EPHX1HPGDLMNA
SCHEMBL3591099 0.83 SMN1; SMN2 (0.37) EPHX1ALDH1A1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL3599443 0.82 EPHX1 (0.35) EPHX1SMN1; SMN2RAB9ATAS1R3TAS1R1

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 EPHX1 1612/4885DRD2 303/4885DRD4 692/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 EPHX1 1612/4885DRD2 303/4885DRD4 692/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 EPHX1 1612/4885DRD2 303/4885DRD4 692/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 EPHX1 1612/4885DRD2 303/4885DRD4 692/4885

“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.