SCHEMBL13017166

SCHEMBL13017166

CC(C)Cc1cnc(-c2ccc(F)c(F)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TRPV3 Q8NET8 1/20 0.38
▸ KMO O15229 2/20 0.36
▸ GRM2 Q14416 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALOX5AP P20292 7/20 0.36
▸ FEN1 P39748 7/20 0.36
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL15060603 0.83 RAB9A (0.41) CYP11B1CYP11B2ALDH1A1CYP1A2GAA
SCHEMBL13017164 0.75 ALOX5AP (0.43) ALOX5APFEN1
SCHEMBL6466753 0.72 NOS3 (0.40) HSD17B10PDE10A
SCHEMBL22186135 0.71 OXTR (0.43) CYP1A2CYP2C9CYP2C19TRPV3NPC1
SCHEMBL19237528 0.70 CYP11B1 (0.44) CYP11B1CYP11B2ALDH1A1CYP1A2GAA
SCHEMBL20556180 0.70 NPC1 (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL13719396 0.68 CYP17A1 (0.51) CYP11B1CYP11B2CYP2C9POLBMAOB
SCHEMBL19243068 0.67 CCR1 (0.54) CYP11B1CYP11B2ALDH1A1CYP1A2GAA
SCHEMBL15490954 0.67 PDE10A (0.50) PDE10A
SCHEMBL8174949 0.67 RAB9A (0.58) CYP11B1CYP11B2ALDH1A1CYP1A2GAA

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
US-8471024-B2 Tetrahydrofuropyridones MERCK SHARP & DOHME, CORP. (US) 2013-06-25 — — US disclosed
US-20100331358-A1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME LLC 2010-12-30 — — US disclosed
US-20100331358-A1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME LLC 2010-12-30 — — 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-20100331358-A1 TETRAHYDROFUROPYRIDONES HIF1AN, EGLN3, HIF1A CYP11B1 217/4885CYP11B2 202/4885ALDH1A1 167/4885

“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.

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