SCHEMBL22252842

SCHEMBL22252842

CC(C)C(=O)/C=C/CN1CCN(CCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 11/20 0.49
▸ CACNA1H O95180 1/20 0.48
▸ SIGMAR1 Q99720 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ SUCNR1 Q9BXA5 1/20 0.37

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
SCHEMBL16208607 0.88 DRD2 (0.50) DRD2CACNA1HSIGMAR1MEN1GAA
SCHEMBL14165710 0.88 DRD2 (0.50) DRD2CACNA1HSIGMAR1MEN1GAA
SCHEMBL14075951 0.88 DRD2 (0.50) DRD2CACNA1HSIGMAR1MEN1GAA
SCHEMBL21754610 0.87 DRD2 (0.52) DRD2CACNA1HSIGMAR1TDP1CD274
SCHEMBL20411791 0.84 DRD2 (0.47) DRD2CACNA1HSIGMAR1MEN1KMT2A
SCHEMBL31301242 0.83 DRD2 (0.63) DRD2CACNA1HSIGMAR1MEN1GAA
SCHEMBL20411793 0.83 DRD2 (0.50) DRD2CACNA1HSIGMAR1TDP1CD274
SCHEMBL25716981 0.82 DRD2 (0.54) DRD2CACNA1HSIGMAR1TDP1CD274
SCHEMBL18705121 0.80 DRD2 (0.54) DRD2CACNA1HSIGMAR1MEN1GAA
SCHEMBL13202614 0.79 DRD2 (0.59) DRD2CACNA1HSIGMAR1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231551-A1 COMPOSITIONS AND USES THEREOF UNIVERSITY OF VIRGINIA 2020-07-23 — — 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 (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-20200231551-A1 COMPOSITIONS AND USES THEREOF CYP11B2, NQO1, CYP11B1 DRD2 4140/4885CACNA1H 4589/4885SIGMAR1 1168/4885

“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.

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