SCHEMBL307075

SCHEMBL307075

CCn1cnc2c[c]cc(OC)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.38
HDAC6 Q9UBN7 3/20 0.37
TNF P01375 3/20 0.35
ADORA2A P29274 2/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PRPS1 P60891 1/20 0.32
IDO1 P14902 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PDE4A P27815 1/20 0.31

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
SCHEMBL309229 0.74 ADORA2A (0.35) ADORA2AMAPTKDM4EKMT2AGAA
SCHEMBL14251705 0.73 HDAC6 (0.39) FGFR1HDAC6TNFADORA2AMAPT
SCHEMBL25754180 0.70 DPP4 (0.41) FGFR1TNFADORA2AMAPTKDM4E
SCHEMBL14250541 0.68 HDAC6 (0.33) HDAC6TNFMAPTKDM4EKMT2A
SCHEMBL22777930 0.68 HDAC6 (0.43) FGFR1HDAC6TNFMAPTKDM4E
SCHEMBL2266428 0.68 ADORA2A (0.38) FGFR1ADORA2AMAPTALDH1A1HSP90AA1
SCHEMBL2273596 0.68 FGFR1 (0.51) FGFR1HDAC6TNFMAPTKDM4E
SCHEMBL25754176 0.67 NQO2 (0.40) FGFR1ADORA2AMAPTKDM4EKMT2A
SCHEMBL8351893 0.67 HDAC6 (0.70) HDAC6TNFKDM4EKMT2AALDH1A1
SCHEMBL21054657 0.66 ADORA2A (0.39) ADORA2AMAPTKDM4EKMT2AGAA

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 FGFR1 1440/4885HDAC6 754/4885TNF 4287/4885

“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.