SCHEMBL309365

SCHEMBL309365

CCn1nc(C)c2c[c]sc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.47
ADORA2B P29275 4/20 0.47
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
GLS O94925 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL313577 0.77 ADORA2A (0.45) ADORA2AADORA2B
SCHEMBL731528 0.65 MAPT (0.44) MAPTSMN1; SMN2HTT
SCHEMBL3483109 0.64 ADORA2A (0.53) ADORA2AADORA2BGAAMAPTGLS
SCHEMBL20719162 0.64 ADORA2A (0.53) ADORA2AADORA2BGAAMAPTGLS
SCHEMBL308258 0.64 KDM4E (0.58) ADORA2AADORA2BMAPTSMN1; SMN2LMNA
SCHEMBL15674377 0.59 ADORA2A (0.47) ADORA2AADORA2BGAAMAPTGLS
SCHEMBL14521067 0.59 ADORA2A (0.65) ADORA2AADORA2BGAAMAPTGLS
SCHEMBL20116573 0.59 ADORA2A (0.67) ADORA2AADORA2BGLSSMN1; SMN2LMNA
SCHEMBL12877767 0.59 LMNA (0.64) MAPTSMN1; SMN2LMNAHTT
SCHEMBL4404446 0.58 ADORA2A (0.50) ADORA2AADORA2BSMN1; SMN2LMNAHTT

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 ADORA2A 1489/4885ADORA2B 888/4885GAA 4828/4885

“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.