SCHEMBL11228193

SCHEMBL11228193

O=C(O)c1ccc(CC2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 1/20 0.52
SRD5A2 P31213 1/20 0.50
GRIK1 P39086 2/20 0.49
PTGES O14684 2/20 0.47
ALDH1A1 P00352 1/20 0.47
EPHX1 P07099 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
CHEK2 O96017 1/20 0.46
PPM1D O15297 2/20 0.46
GAA P10253 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
PTGER4 P35408 1/20 0.44

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
SCHEMBL2812600 0.90 KMT2A (0.56) KMT2AMEN1SRD5A2GRIK1ALDH1A1
SCHEMBL25909564 0.84 KMT2A (0.52) KMT2AMEN1ALDH1A1EPHX1HDAC6
SCHEMBL31276700 0.84 KMT2A (0.52) KMT2AMEN1ALDH1A1EPHX1HDAC6
SCHEMBL11190532 0.84 PTPRC (0.46) KMT2AMEN1HDAC6CHEK2GAA
SCHEMBL11180540 0.84 KMT2A (0.52) KMT2AMEN1ALDH1A1EPHX1HDAC6
SCHEMBL27528076 0.82 KMT2A (0.54) KMT2AMEN1ALDH1A1GAA
SCHEMBL11590207 0.82 GRIK1 (0.53) KMT2AMEN1GRIK1ALDH1A1GAA
SCHEMBL13687812 0.82 KMT2A (0.50) KMT2AMEN1GRIK1ALDH1A1GAA
SCHEMBL6260511 0.82 GBA1 (0.62) KMT2AMEN1GRIK1ALDH1A1GAA
SCHEMBL27979790 0.82 KMT2A (0.50) KMT2AMEN1GRIK1ALDH1A1GAA

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
JP-57176943-A None JP disclosed
JP-56158751-A None JP disclosed
US-9650352-B2 Use of (2R, 6R)-hydroxynorketamine, (S)-dehydronorketamine and other stereoisomeric dehydro and hydroxylated metabolites of (R,S)-ketamine in the treatment of depression and neuropathic pain THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-05-16 US disclosed
US-9650352-B2 Use of (2R, 6R)-hydroxynorketamine, (S)-dehydronorketamine and other stereoisomeric dehydro and hydroxylated metabolites of (R,S)-ketamine in the treatment of depression and neuropathic pain THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-05-16 US disclosed
US-8912201-B2 6-cycloalkyl-pyrazolopyrimidinones for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 US disclosed
US-20140296241-A1 THE USE OF (2R, 6R)-HYDROXYNORKETAMINE, (S)-DEHYDRONORKETAMINE AND OTHER STEREOISOMERIC DEHYDRO AND HYDROXYLATED METABOLITES OF (R,S)- KETAMINE IN THE TREATMENT OF DEPRESSION AND NEUROPATHIC PAIN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-10-02 US disclosed
US-20140296241-A1 THE USE OF (2R, 6R)-HYDROXYNORKETAMINE, (S)-DEHYDRONORKETAMINE AND OTHER STEREOISOMERIC DEHYDRO AND HYDROXYLATED METABOLITES OF (R,S)- KETAMINE IN THE TREATMENT OF DEPRESSION AND NEUROPATHIC PAIN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-10-02 US disclosed
JP-S57176943-A 4-(TRANS-4'-ALKYLCYCLOHEXYLMETHYLOXY)BENZOIC ACID 3\"- CHLORO-4\"-CYANOPHENYL ESTER CHISSO CORP 1982-10-30 JP disclosed
JP-S56158751-A 4\"-CYANOPHENYL 4-(TRANS-4'-ALKYLCYCLOHEXYLMETHOXY)BENZOATE CHISSO CORP 1981-12-07 JP 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-20140296241-A1 THE USE OF (2R, 6R)-HYDROXYNORKETAMINE, (S)-DEHYDRONORKETAMINE AND OTHER STEREOISOMERIC DEHYDRO AND HYDROXYLATED METABOLITES OF (R,S)- KETAMINE IN THE TREATMENT OF DEPRESSION AND NEUROPATHIC PAIN CYP2D6, OPRK1, CYP2S1 KMT2A 1750/4885MEN1 4765/4885SRD5A2 144/4885

“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.