SCHEMBL12424516

SCHEMBL12424516

CCC1CCC(NC(=O)OCc2cccnc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.53
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.50
FAAH O00519 1/20 0.47
CYP3A4 P08684 1/20 0.47
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 2/20 0.46
NAAA Q02083 1/20 0.45
NAMPT P43490 1/20 0.45
EPHX1 P07099 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 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 0.88 HDAC8 (0.55) HDAC8ALDH1A1GAATSHRFAAH
SCHEMBL12424950 0.85 HDAC8 (0.52) HDAC8ALDH1A1GAATSHRFAAH
SCHEMBL904569 0.81 DPP4 (0.50) HDAC8ALDH1A1GAATSHRCYP3A4
SCHEMBL12217715 0.80 HDAC8 (0.52) HDAC8ALDH1A1FAAHCYP3A4MEN1
SCHEMBL20357434 0.80 CHRM2 (0.54) HDAC8ALDH1A1TSHRLMNAHTT
SCHEMBL18615605 0.79 CHRM2 (0.50) HDAC8CYP3A4KMT2ACHRM2CHRM1
SCHEMBL12193354 0.77 HDAC8 (0.52) HDAC8ALDH1A1GAAFAAHMEN1
SCHEMBL25676009 0.77 GRIN2B (0.63) CYP3A4CHRM2CHRM1CHRM3
SCHEMBL2222536 0.76 ALDH1A1 (0.64) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL8292780 0.75 FAAH (0.62) HDAC8ALDH1A1GAAFAAHCYP3A4

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.