SCHEMBL3604485

SCHEMBL3604485

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
SOAT1 P35610 1/20 0.31
HDAC3 O15379 3/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 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
SCHEMBL3606679 0.92 HPGD (0.36) ALDH1A1SMN1; SMN2LMNAPOLBRAB9A
SCHEMBL3603285 0.90 RAB9A (0.33) ALDH1A1SMN1; SMN2LMNAPOLBRAB9A
SCHEMBL3600163 0.88 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2LMNAPOLBRAB9A
SCHEMBL3594676 0.87 NAMPT (0.31) ALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL3600339 0.86 EPHX1 (0.39) ALDH1A1SMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL3605265 0.85 EPHX1 (0.40) ALDH1A1SMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL3605777 0.85 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL3590832 0.85 L3MBTL1 (0.35) ALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL3598141 0.85 L3MBTL1 (0.35) ALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL3595273 0.85 L3MBTL1 (0.35) ALDH1A1SMN1; SMN2RAB9AL3MBTL1

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

“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.