SCHEMBL12424470

SCHEMBL12424470

CCC1CCC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.55
DRD2 P14416 6/20 0.48
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
CTSK P43235 2/20 0.44
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX1 P07099 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
DRD3 P35462 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD11B1 P28845 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
SCHEMBL19156113 1.00 BTK (0.55) BTKDRD2KDM1AMAOBCTSK
Formic Acid SCHEMBL27685386 0.94 BTK (0.50) BTKDRD2KDM1AMAOBCTSK
SCHEMBL12424258 0.91 BTK (0.64) BTKDRD2KDM1AMAOBCTSK
SCHEMBL20689413 0.91 BTK (0.64) BTKDRD2KDM1AMAOBCTSK
SCHEMBL12688427 0.90 DRD2 (0.50) BTKDRD2KDM1AMAOBCTSK
SCHEMBL12911093 0.90 DRD2 (0.50) BTKDRD2KDM1AMAOBCTSK
SCHEMBL12688495 0.90 DRD2 (0.50) BTKDRD2KDM1AMAOBCTSK
Ethoxycarbonyl Group SCHEMBL27819345 0.89 BTK (0.46) BTKDRD2KDM1AMAOBCTSK
SCHEMBL12424476 0.88 BTK (0.51) BTKDRD2KDM1AMAOBCTSK
SCHEMBL20233119 0.88 BTK (0.51) BTKDRD2KDM1AMAOBCTSK

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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 BTK 690/4885DRD2 3564/4885KDM1A 1324/4885

“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.