SCHEMBL1871010

SCHEMBL1871010

COc1cccc(OCCN2CCOCC2)c1C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
TDP1 Q9NUW8 1/20 0.59
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
ALDH1A1 P00352 4/20 0.57
POLB P06746 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HPGD P15428 1/20 0.52
SYK P43405 1/20 0.51
HTR1A P08908 2/20 0.51
HTR2A P28223 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50

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
SCHEMBL1871797 0.88 POLB (0.56) KDM4ETDP1TSHRALDH1A1POLB
SCHEMBL9972739 0.86 KDM4E (0.61) KDM4ETDP1TSHRALDH1A1POLB
SCHEMBL6921737 0.81 HTR1A (0.58) KDM4ETDP1CYP2D6TSHRALDH1A1
SCHEMBL5319656 0.81 KDM4E (0.70) KDM4ETDP1CYP2D6TSHRALDH1A1
SCHEMBL16676773 0.81 ABCB1 (0.66) KDM4ETDP1ALDH1A1POLBMEN1
SCHEMBL13744516 0.80 SMN1; SMN2 (0.66) KDM4ETDP1CYP2D6TSHRALDH1A1
SCHEMBL9972738 0.80 KDM4E (0.56) KDM4ETDP1TSHRALDH1A1POLB
Ammonia Solution, Strong SCHEMBL4267670 0.80 KDM4E (0.68) KDM4ETDP1CYP2D6TSHRALDH1A1
SCHEMBL6763629 0.78 POLB (0.63) KDM4ETDP1ALDH1A1POLBMEN1
SCHEMBL7786453 0.77 CYP2D6 (0.56) KDM4ETDP1CYP2D6TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962627-B2 Oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors PRESTWICK CHEMICAL, INC. (FR) 2015-02-24 US disclosed
EP-2493871-B1 NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2014-09-03 EP disclosed
US-20120277212-A1 Novel Oxime Derivatives and Their Use As Allosteric Modulators of Metabotropic Glutamate Receptors PRESTWICK CHEMICAL, INC. (FR) 2012-11-01 US disclosed
EP-2493871-A1 NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Domain Therapeutics (FR) 2012-09-05 EP disclosed
WO-2011051478-A1 NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2011-05-05 WO 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-20120277212-A1 Novel Oxime Derivatives and Their Use As Allosteric Modulators of Metabotropic Glutamate Receptors GRM4, GRM1, GRM2 KDM4E 347/4885TDP1 3747/4885CYP2D6 1313/4885

“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.