SCHEMBL309049

SCHEMBL309049

CCn1c(=O)n(CC)c2c(OC)cc(C(=O)OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MDM2 Q00987 1/20 0.41
KMT2A Q03164 4/20 0.40
CYP3A4 P08684 2/20 0.39
MAPT P10636 5/20 0.39
MAPK1 P28482 1/20 0.38
MEN1 O00255 3/20 0.38
CNR2 P34972 1/20 0.38
ACSS2 Q9NR19 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL5837327 0.77 KDM4E (0.58) KDM4EKMT2AMAPTMEN1ACSS2
SCHEMBL309368 0.69 KDM4E (0.41) KDM4EKMT2ACYP3A4MAPTMEN1
SCHEMBL17434605 0.69 KMT2A (0.55) KDM4EMDM2KMT2AMAPK1MEN1
SCHEMBL28563630 0.69 MAPT (0.50) KDM4EKMT2ACYP3A4MAPTMEN1
SCHEMBL22777930 0.69 HDAC6 (0.43) KDM4EKMT2ACYP3A4MAPTMAPK1
SCHEMBL31238916 0.68 CNR2 (0.62) KDM4EKMT2ACYP3A4MAPTMEN1
SCHEMBL25980711 0.67 MAPT (0.45) KDM4EKMT2ACYP3A4MAPTMEN1
SCHEMBL24856262 0.67 MAPT (0.51) KDM4EKMT2ACYP3A4MAPTMEN1
SCHEMBL918581 0.66 L3MBTL1 (0.48) KDM4EKMT2ACYP3A4MAPTMEN1
SCHEMBL8639986 0.66 BPTF (0.56) KDM4EKMT2ACYP3A4MAPTMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111406-B1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK SHARP & DOHME (US) 2012-10-24 EP disclosed
US-8093389-B2 e.g. 1-[(1-Ethyl-4-methoxy-1H-benzimidazol-6-yl)carbonyl]-6-(1H-tetrazol-5-yl)spiro[chroman-2,4'-piperidine]-4-one; acetyl CoA carboxylase inhibitors; antidiabetic, hypoglycemic agent; metabolic syndrome, fatty liver, hyperlipemia, obesity, diabetes, bulimia, malignant neoplasm or infectious diseases MERCK SHARP & DOHME CORP. (US) 2012-01-10 US disclosed
EP-2111406-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS Merck & Co., Inc. (US) 2009-10-28 EP disclosed
WO-2008088688-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 WO disclosed
US-20080171761-A1 Substituted spirochromanone derivatives MERCK SHARP & DOHME LLC 2008-07-17 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-20080171761-A1 Substituted spirochromanone derivatives CBR3, CBR1, CNKSR1 KDM4E 4093/4885MDM2 593/4885KMT2A 3886/4885

“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.