SCHEMBL346731

SCHEMBL346731

CC(C)(C)N(O)C(=O)C1CCc2ccc(C(N)=O)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
OPRM1 P35372 5/20 0.37
DRD3 P35462 4/20 0.37
DRD2 P14416 2/20 0.36
HSD17B3 P37058 1/20 0.35
ACHE P22303 1/20 0.35
OPRD1 P41143 5/20 0.35
OPRK1 P41145 4/20 0.35
HTR1B P28222 2/20 0.34
PARP1 P09874 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
AKR1C3 P42330 1/20 0.34
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL367380 0.80 KDM1A (0.46) KDM1AOPRM1DRD3DRD2HSD17B3
SCHEMBL10197703 0.75 PARP1 (0.46) KDM1APARP1PARP15PARP10HDAC8
SCHEMBL366956 0.74 KDM1A (0.46) KDM1AOPRM1DRD3HSD17B3OPRK1
SCHEMBL8434564 0.72 DRD2 (0.60) KDM1ADRD3DRD2ACHEOPRK1
SCHEMBL12152999 0.69 PARP1 (0.43) KDM1AOPRM1DRD3HSD17B3PARP1
SCHEMBL7407647 0.68 DRD3 (0.71) DRD3DRD2HTR1A
SCHEMBL7407655 0.68 DRD3 (0.71) DRD3DRD2HTR1A
Hydrochloric Acid SCHEMBL9752125 0.68 DRD3 (0.70) DRD3DRD2HTR1A
Hydrochloric Acid SCHEMBL9752127 0.68 DRD3 (0.70) DRD3DRD2HTR1A
SCHEMBL21168435 0.67 HSD17B3 (0.55) KDM1AHSD17B3PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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 (2 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 KDM1A 73/4885OPRM1 3662/4885DRD3 2545/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 KDM1A 58/4885OPRM1 3471/4885DRD3 1694/4885

“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.