SCHEMBL12424950

SCHEMBL12424950

CC(C)C1CCC(NC(=O)OCc2cccnc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.49
DPP4 P27487 7/20 0.48
DPP7 Q9UHL4 7/20 0.48
KCNH2 Q12809 4/20 0.48
CYP3A4 P08684 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.46
HDAC1 Q13547 1/20 0.45
FAAH O00519 1/20 0.44
NAAA Q02083 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL12424270 0.87 HDAC8 (0.55) HDAC8ALDH1A1GAATSHRCYP3A4
SCHEMBL12424516 0.85 HDAC8 (0.53) HDAC8ALDH1A1GAATSHRCYP3A4
SCHEMBL25676008 0.78 GRIN2B (0.56) ALDH1A1GAATSHRCYP3A4CYP17A1
SCHEMBL12193354 0.76 HDAC8 (0.52) HDAC8ALDH1A1GAAMEN1LMNA
SCHEMBL12217715 0.76 HDAC8 (0.52) HDAC8ALDH1A1CYP3A4MEN1LMNA
SCHEMBL904569 0.76 DPP4 (0.50) HDAC8ALDH1A1GAATSHRDPP4
SCHEMBL12424432 0.75 ALDH1A1 (0.64) ALDH1A1TSHRMEN1LMNAMAPT
SCHEMBL836643 0.74 KMT2A (0.58) HDAC8ALDH1A1CYP3A4MEN1LMNA
SCHEMBL7340811 0.74 CNR1 (0.52) HDAC8ALDH1A1GAACYP3A4MEN1
SCHEMBL7327467 0.74 CNR1 (0.55) HDAC8ALDH1A1CYP3A4MEN1LMNA

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 HDAC8 775/4885ALDH1A1 1168/4885GAA 2545/4885

“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.