SCHEMBL3389625

SCHEMBL3389625

O=C(C1(c2ccccc2Cl)CCCC1)C1(c2ccccc2Cl)CCCC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 9/20 0.69
AKR1C1 Q04828 1/20 0.47
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
SLC6A4 P31645 2/20 0.46
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
OPRK1 P41145 1/20 0.46
LMNA P02545 1/20 0.46
OPRM1 P35372 1/20 0.46
CACNA1C Q13936 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL31729576 1.00 HDAC4 (0.69) HDAC4AKR1C1GRIN1GRIN2ASLC6A4
SCHEMBL19469486 0.82 HDAC4 (0.62) HDAC4AKR1C1GRIN1GRIN2ASLC6A4
SCHEMBL30501932 0.82 HDAC4 (0.62) HDAC4AKR1C1GRIN1GRIN2ASLC6A4
SCHEMBL16132813 0.82 HDAC4 (1.00) HDAC4GRIN1GRIN2ASLC6A4OPRK1
SCHEMBL18742509 0.81 HDAC4 (0.60) HDAC4AKR1C1GRIN1GRIN2ASLC6A4
SCHEMBL4284674 0.80 HDAC4 (0.59) HDAC4AKR1C1GRIN1GRIN2ASLC6A4
SCHEMBL30790659 0.80 HDAC4 (0.59) HDAC4AKR1C1GRIN1GRIN2ASLC6A4
SCHEMBL8747357 0.80 HDAC4 (0.59) HDAC4AKR1C1GRIN1GRIN2ASLC6A4
SCHEMBL29077524 0.78 HDAC4 (0.57) HDAC4GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL3391455 0.77 HDAC4 (0.47) HDAC4LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4393487-A2 NEURO-ATTENUATING KETAMINE AND NORKETAMINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS ACADIA Pharmaceuticals Inc. (US) 2024-07-03 EP disclosed
EP-3215147-B1 NEURO-ATTENUATING NORKETAMINE COMPOUNDS AND METHODS ACADIA PHARM INC (US) 2024-02-28 EP disclosed
US-20230192593-A1 NEURO-ATTENUATING KETAMINE AND NORKETAMINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS ACADIA PHARMACEUTICALS INC. 2023-06-22 US disclosed
US-11613515-B2 Neuro-attenuating ketamine and norketamine compounds, derivatives thereof, and methods AMORSA THERAPEUTICS, INC. (US) 2023-03-28 US disclosed
US-11603348-B2 Neuro-attenuating ketamine and norketamine compounds, derivatives thereof, and methods AMORSA THERAPEUTICS, INC. (US) 2023-03-14 US disclosed
CN-115521217-A Neuroattenuating ketamine and norketamine compounds, derivatives and methods thereof 阿莫萨治疗公司 2022-12-27 CN disclosed
US-20220402863-A1 NEURO-ATTENUATING KETAMINE AND NORKETAMINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS AMORSA THERAPEUTICS, INC. 2022-12-22 US disclosed
US-10981859-B2 Neuro-attenuating ketamine and norketamine compounds, derivatives thereof, and methods AMORSA THERAPEUTICS, INC. (US) 2021-04-20 US disclosed
US-20190263749-A1 NEURO-ATTENUATING KETAMINE AND NORKETAMINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS ACADIA PHARMACEUTICALS INC. 2019-08-29 US disclosed
US-10252982-B2 Neuro-attenuating ketamine and norketamine compounds, derivatives thereof, and methods AMORSA THERAPEUTICS, INC. (US) 2019-04-09 US disclosed
US-20170355663-A1 NEURO-ATTENUATING KETAMINE AND NORKETAMINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS ACADIA PHARMACEUTICALS INC. 2017-12-14 US disclosed
EP-3215147-A1 NEURO-ATTENUATING KETAMINE AND NORKETAMINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS Amorsa Therapeutics, Inc. (US) 2017-09-13 EP disclosed
WO-2016073653-A1 NEURO-ATTENUATING KETAMINE AND NORKETAMINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS AMORSA THERAPEUTICS, INC. (US) 2016-05-12 WO disclosed
EP-1333023-B1 Immunogens, antibodies and conjugates to ketamine and its metabolites RANDOX LAB LTD (GB) 2010-12-22 EP disclosed
US-7371829-B2 Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites RANDOX LABORATORIES LIMITED (GB) 2008-05-13 US disclosed
US-20030224447-A1 Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites RANDOX LABORATORIES LIMITED 2003-12-04 US disclosed
EP-1333023-A1 Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites Randox Laboratories Ltd. (GB) 2003-08-06 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 (9 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-20230192593-A1 NEURO-ATTENUATING KETAMINE AND NORKETAMINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS KCNK4, GRIK4, KCNK5 HDAC4 394/4885AKR1C1 1101/4885GRIN1 93/4885
US-20220402863-A1 NEURO-ATTENUATING KETAMINE AND NORKETAMINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS KCNK4, KCNQ4, GRIK4 HDAC4 391/4885AKR1C1 984/4885GRIN1 75/4885
US-11613515-B2 Neuro-attenuating ketamine and norketamine compounds, derivatives thereof, and methods KCNK4, GRIK4, KCNK5 HDAC4 394/4885AKR1C1 1101/4885GRIN1 93/4885
US-10981859-B2 Neuro-attenuating ketamine and norketamine compounds, derivatives thereof, and methods KCNK4, KCNQ4, GRIK4 HDAC4 391/4885AKR1C1 984/4885GRIN1 75/4885
US-11603348-B2 Neuro-attenuating ketamine and norketamine compounds, derivatives thereof, and methods KCNK4, GRIK4, KCNK5 HDAC4 394/4885AKR1C1 1101/4885GRIN1 93/4885
US-20170355663-A1 NEURO-ATTENUATING KETAMINE AND NORKETAMINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS KCNK4, GRIK4, KCNQ4 HDAC4 340/4885AKR1C1 1008/4885GRIN1 70/4885
US-10252982-B2 Neuro-attenuating ketamine and norketamine compounds, derivatives thereof, and methods KCNK4, GRIK4, KCNQ4 HDAC4 340/4885AKR1C1 1008/4885GRIN1 70/4885
US-20190263749-A1 NEURO-ATTENUATING KETAMINE AND NORKETAMINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS KCNK4, KCNQ4, GRIK4 HDAC4 384/4885AKR1C1 964/4885GRIN1 78/4885
US-20030224447-A1 Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites HNMT, HLA-DRB1, HLA-A HDAC4 1489/4885AKR1C1 419/4885GRIN1 66/4885

“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.