SCHEMBL17315674

SCHEMBL17315674

COC(=O)c1cccc(C2(N)CCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
AKT1 P31749 2/20 0.47
AKT2 P31751 2/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 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
SCHEMBL31237031 0.97 AKT1 (0.49) LOXL2AKT1AKT2ALDH1A1TSHR
SCHEMBL14292182 0.97 AKT1 (0.49) LOXL2AKT1AKT2ALDH1A1TSHR
SCHEMBL1670244 0.94 LOXL2 (0.51) LOXL2AKT1AKT2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL29425077 0.92 LOXL2 (0.50) LOXL2AKT1AKT2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL22615435 0.92 LOXL2 (0.50) LOXL2AKT1AKT2ALDH1A1TSHR
SCHEMBL14292288 0.87 LMNA (0.46) LOXL2AKT1AKT2ALDH1A1TSHR
SCHEMBL8283182 0.83 HTR1A (0.50) AKT1AKT2CYP4F2CYP4A11
SCHEMBL29010764 0.82 LOXL2 (0.43) LOXL2ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL17315678 0.81
SCHEMBL18662857 0.81 AKT1 (0.50) LOXL2AKT1AKT2ALDH1A1TSHR

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
EP-3148971-A1 DEUBIQUITINASE INHIBITORS Pharmakea, Inc. (US) 2017-04-05 EP disclosed
US-20170088520-A1 DEUBIQUITINASE INHIBITORS PHARMAKEA, INC. 2017-03-30 US disclosed
WO-2015187427-A1 DEUBIQUITINASE INHIBITORS PHARMAKEA, INC. (US) 2015-12-10 WO 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-20170088520-A1 DEUBIQUITINASE INHIBITORS USP30, USP1, USP28 LOXL2 1257/4885AKT1 2769/4885AKT2 2933/4885

“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.