SCHEMBL4504702

SCHEMBL4504702

CCOC(=O)C1(Cc2c(Cl)cccc2Cl)CCCNC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
OPRM1 P35372 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADCY8 P40145 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL8407441 0.82 OPRM1 (0.46) ALDH1A1GAAOPRM1KDM4ENPC1
SCHEMBL8407436 0.82 OPRM1 (0.46) ALDH1A1GAAOPRM1KDM4ENPC1
SCHEMBL23388812 0.78 POLB (0.46) ALDH1A1OPRM1KDM4EMEN1KMT2A
SCHEMBL153866 0.75 ALDH1A1 (0.39) ALDH1A1OPRM1KDM4EMEN1KMT2A
SCHEMBL7826623 0.75 RAB9A (0.40) ALDH1A1OPRM1KDM4ENPC1RAB9A
SCHEMBL3268225 0.75 POLB (0.43) ALDH1A1OPRM1KDM4EMEN1KMT2A
SCHEMBL20980165 0.73 POLB (0.41) OPRM1MEN1KMT2APOLB
SCHEMBL156753 0.70 POLB (0.46) GRIN1GRIN2AALDH1A1OPRM1KDM4E
SCHEMBL23388844 0.70 POLB (0.49) GAAOPRM1KDM4EMEN1KMT2A
SCHEMBL8115016 0.69 OPRM1 (0.54) GRIN1GRIN2AOPRM1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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 (1 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 GRIN1 1622/4885GRIN2A 3886/4885ALDH1A1 51/4885

“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.