SCHEMBL4088010

SCHEMBL4088010

Cc1c(Br)c2c(c(C)c1NC(=O)O)CC(C)O2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.35
MAOA P21397 6/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CREBBP Q92793 2/20 0.30
BRD4 O60885 1/20 0.30
MAOB P27338 2/20 0.30

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
SCHEMBL3597589 0.73 HTR2A (0.34) HPGD
SCHEMBL657996 0.69 MAOA (0.34) PARP1MAOAKDM4EALDH1A1HPGD
SCHEMBL659313 0.69 MAOA (0.34) PARP1MAOAKDM4EALDH1A1HPGD
SCHEMBL659037 0.69 MAOA (0.34) PARP1MAOAKDM4EALDH1A1HPGD
Oxalic Acid SCHEMBL8312179 0.65 PARP1 (0.43) PARP1MAOAKDM4EALDH1A1HPGD
SCHEMBL4082490 0.64
SCHEMBL657712 0.63 MAOA (0.45) PARP1MAOAKDM4EALDH1A1TSHR
SCHEMBL4091703 0.62
SCHEMBL3604729 0.62
SCHEMBL14235903 0.61 PARP1 (0.40) PARP1MAOAKDM4EALDH1A1HPGD

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 PARP1 1869/4885MAOA 1094/4885KDM4E 737/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PARP1 1869/4885MAOA 1094/4885KDM4E 737/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PARP1 1869/4885MAOA 1094/4885KDM4E 737/4885

“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.