SCHEMBL13412484

SCHEMBL13412484

CC(C)(C)CCc1nc(C(N)=O)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
HTR2B P41595 1/20 0.39
CYP2C19 P33261 2/20 0.38
ACHE P22303 1/20 0.38
ENPP2 Q13822 1/20 0.36
TBXA2R P21731 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER3 P43115 1/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MMP1 P03956 1/20 0.33

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
SCHEMBL13412487 0.85 MMP1 (0.47) DPP4ACHEPTGER3ALDH1A1HDAC1
SCHEMBL14207214 0.81 DPP4 (0.42) DPP4HTR2BCYP2C19ACHEENPP2
SCHEMBL30358517 0.80 CYP2C19 (0.45) DPP4HTR2BCYP2C19ACHEENPP2
SCHEMBL29923820 0.80 LOXL2 (0.45) DPP4HTR2BCYP2C19ACHEENPP2
SCHEMBL13412488 0.79 RAB9A (0.55) CYP2C19MAPTRAB9ANPC1CYP1A2
SCHEMBL13447428 0.79 DPP4 (0.41) DPP4HTR2BCYP2C19ACHEENPP2
SCHEMBL13412480 0.78 ALDH1A1 (0.40) RAB9AALDH1A1HDAC1HDAC6L3MBTL1
SCHEMBL30358512 0.78 HTR2B (0.41) DPP4HTR2BCYP2C19ACHEENPP2
SCHEMBL3121570 0.78 HTR2B (0.41) DPP4HTR2BCYP2C19ACHEENPP2
SCHEMBL13412500 0.78 HIF1A (0.44) CYP2C19MAPTRAB9ANPC1CYP1A2

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-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-18 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-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS LDLR, PCSK9, CYP46A1 DPP4 1270/4885HTR2B 2431/4885CYP2C19 57/4885

“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.