SCHEMBL6921737

SCHEMBL6921737

CC(=O)c1c(O)cccc1OCCCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.58
HTR2A P28223 1/20 0.58
CYP2D6 P10635 2/20 0.56
TSHR P16473 1/20 0.56
USP2 O75604 1/20 0.56
KDM4E B2RXH2 4/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 2/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
EPHX2 P34913 2/20 0.49

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 0.94 POLB (0.56) HTR1AHTR2ATSHRUSP2KDM4E
SCHEMBL17443426 0.82 KDM4E (0.69) HTR2ACYP2D6TSHRUSP2KDM4E
SCHEMBL1871010 0.81 KDM4E (0.59) HTR1AHTR2ACYP2D6TSHRKDM4E
SCHEMBL9972739 0.80 KDM4E (0.61) TSHRUSP2KDM4ETDP1SMN1; SMN2
SCHEMBL27587584 0.78 USP2 (0.59) HTR1AHTR2ACYP2D6TSHRUSP2
SCHEMBL4265430 0.78 KDM4E (0.63) CYP2D6TSHRUSP2KDM4ETDP1
SCHEMBL4399410 0.77 KDM4E (0.65) CYP2D6TSHRUSP2KDM4ETDP1
SCHEMBL2062605 0.77 KDM4E (0.65) CYP2D6TSHRUSP2KDM4ETDP1
SCHEMBL31661824 0.77 KDM4E (0.65) CYP2D6TSHRUSP2KDM4ETDP1
SCHEMBL31661823 0.77 KDM4E (0.65) CYP2D6TSHRUSP2KDM4ETDP1

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 9 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
US-8962627-B2 Oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors PRESTWICK CHEMICAL, INC. (FR) 2015-02-24 US disclosed
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
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
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
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
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 HTR1A 202/4885HTR2A 260/4885CYP2D6 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.