SCHEMBL4086735

SCHEMBL4086735

Cc1c(C)c2c(c(C)c1NC(=O)O)C(O)(c1ccc3ccccc3c1)C(C)(C)O2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 5/20 0.34
MEN1 O00255 5/20 0.34
SLC6A2 P23975 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KIF11 P52732 1/20 0.34
RAB9A P51151 7/20 0.32
NPC1 O15118 6/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PKM P14618 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 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
SCHEMBL3605873 0.87 HPGD (0.37) KMT2ASLC6A4SLC6A3MEN1SLC6A2
SCHEMBL4081445 0.84 TP53 (0.31) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL3596709 0.80 SLC6A4 (0.38) SLC6A4SLC6A3SLC6A2MAPTKDM4E
SCHEMBL2475980 0.69 KMT2A (0.42) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL3593883 0.63 KCNQ2 (0.37) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL28373912 0.61 KIF11 (0.36) KMT2AMEN1MAPTKDM4EKIF11
SCHEMBL1672113 0.58 RAB9A (0.72) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL11517099 0.56 LMNA (0.47) KMT2AMAPTCYP1A2SMN1; SMN2LMNA
SCHEMBL28404806 0.56 KMT2A (0.44) KMT2AMEN1MAPTKDM4EKIF11
SCHEMBL9692372 0.55 HTT (0.39) KMT2ASLC6A4SLC6A3SLC6A2MAPT

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 7 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-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 (3 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-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KMT2A 1061/4885SLC6A4 1243/4885SLC6A3 1849/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KMT2A 1061/4885SLC6A4 1243/4885SLC6A3 1849/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KMT2A 1061/4885SLC6A4 1243/4885SLC6A3 1849/4885

“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.