SCHEMBL3600339

SCHEMBL3600339

Cc1c(C)c2c(c(C)c1NC(=O)NCCCO)C(c1ccc(C(C)C)cc1)CO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.39
EPHX2 P34913 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
SLC6A3 Q01959 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
MITF O75030 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3605265 0.97 EPHX1 (0.40) EPHX1EPHX2HPGDKMT2AMEN1
SCHEMBL3591099 0.94 SMN1; SMN2 (0.37) EPHX1EPHX2KMT2AMEN1SMN1; SMN2
SCHEMBL3605134 0.91 EPHX1 (0.36) EPHX1EPHX2HPGDKMT2AMEN1
SCHEMBL3599034 0.90 EPHX1 (0.40) EPHX1EPHX2KMT2AMEN1LMNA
SCHEMBL3603966 0.89 EPHX1 (0.36) EPHX1HPGDLMNASMN1; SMN2SLC6A3
SCHEMBL3599443 0.88 EPHX1 (0.35) EPHX1EPHX2KMT2AMEN1SMN1; SMN2
SCHEMBL3598753 0.88 KMT2A (0.38) EPHX1EPHX2HPGDKMT2AMEN1
SCHEMBL3602810 0.88 EPHX1 (0.34) EPHX1EPHX2HPGDKMT2AMEN1
SCHEMBL3604485 0.86 ALDH1A1 (0.33) LMNASMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL3610076 0.85 SMN1; SMN2 (0.35) EPHX1EPHX2KMT2AMEN1SMN1; SMN2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP claimed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US claimed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US claimed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US claimed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US claimed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP claimed
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 1612/4885EPHX2 1518/4885HPGD 1416/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 EPHX1 1612/4885EPHX2 1518/4885HPGD 1416/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 EPHX1 1612/4885EPHX2 1518/4885HPGD 1416/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 EPHX1 1612/4885EPHX2 1518/4885HPGD 1416/4885

“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.