SCHEMBL6834844

SCHEMBL6834844

COc1ccc(C(=O)N(C)CCO)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.64
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HPGD P15428 3/20 0.49
KDM4E B2RXH2 1/20 0.49
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
HDAC4 P56524 2/20 0.47
GSK3B P49841 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL19479112 0.91 DRD2 (0.74) DRD2MEN1KMT2ABCHEACHE
SCHEMBL10795881 0.87 HDAC4 (0.54) DRD2CDK4CCND1HPGDHDAC4
SCHEMBL16945939 0.86 DRD2 (0.64) DRD2MEN1KMT2ABCHEACHE
SCHEMBL19479113 0.85 DRD2 (0.62) DRD2MEN1KMT2ABCHEACHE
SCHEMBL6023472 0.84 CES2 (0.52) DRD2CES2CES1HPGDKDM4E
SCHEMBL14175138 0.83 DRD2 (0.61) DRD2MEN1KMT2ABCHEACHE
SCHEMBL19997006 0.83 DRD2 (0.61) DRD2MEN1KMT2ABCHEACHE
SCHEMBL19634283 0.83 ALDH1A1 (0.55) DRD2MEN1KMT2AHPGDKDM4E
SCHEMBL16941089 0.82 DRD2 (0.59) DRD2MEN1KMT2ABCHEACHE
SCHEMBL7531226 0.81 DRD2 (0.57) DRD2MEN1KMT2ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 US disclosed
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 US disclosed
US-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF KANSAS 2021-10-21 US disclosed
EP-3442955-B1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE US HEALTH (US) 2021-09-29 EP disclosed
WO-2017181004-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-10-19 WO disclosed
US-20040082774-A1 Novel phosphate and thiophosphate protecting groups ISIS PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6610837-B1 Preparation of an oligonucleotide compound of given formula by reacting with given compounds, followed by oxidation or sulfurization ISIS PHARMACEUTICALS, INC. 2003-08-26 US disclosed
US-6121437-A SYNTHESIS OF OLIGONUCLEOTIDES USING OLIGONUCLEOTIDES OR NUCLEOTIDES WITH PROTECTED INTERNUCLEOSIDIC PHOSPHORUS FUNCTIONALITIES WHICH CAN BE REMOVED UNDER MILD CONDITIONS AND PRODUCE NONTOXIC BY-PRODUCTS ISIS PHARMACEUTICALS, INC. (US) 2000-09-19 US 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 (3 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-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, CHRM2 DRD2 4/4885MEN1 3264/4885KMT2A 2972/4885
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, DRD2 DRD2 3/4885MEN1 3373/4885KMT2A 3239/4885
US-20040082774-A1 Novel phosphate and thiophosphate protecting groups TYMP, MTAP, PPIP5K2 DRD2 4514/4885MEN1 3835/4885KMT2A 4615/4885

“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.