SCHEMBL309173

SCHEMBL309173

CCn1nc(C)c2cc(C(=O)N3CCC4(CC3)CC(=O)c3cc(-c5nnn[nH]5)ccc3O4)sc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.42
KMT2A Q03164 1/20 0.41
ACACA Q13085 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL733374 0.90 HDAC3 (0.41) ACACBACACAALDH1A1KDM4E
SCHEMBL733415 0.85 TSHR (0.46) ACACBACACALMNAHTTNPSR1
SCHEMBL730568 0.84 TSHR (0.45) ACACBKMT2AACACALMNAHTT
SCHEMBL730567 0.84 TSHR (0.45) ACACBACACALMNAHTTNPSR1
SCHEMBL732641 0.80 HDAC3 (0.42) ACACBLMNAHTTNPSR1ALDH1A1
SCHEMBL14151406 0.78 ACACB (0.39) ACACBACACANPSR1ALDH1A1HPGD
SCHEMBL730824 0.78 TSHR (0.42) ACACBACACAHTTNPSR1ALDH1A1
SCHEMBL3857043 0.78 NPSR1 (0.31) LMNAHTTNPSR1ALDH1A1HPGD
SCHEMBL13556924 0.77 KMT2A (0.39) ACACBKMT2AACACAALDH1A1HPGD
SCHEMBL731811 0.77 EPHX2 (0.46) ACACBKMT2AACACA

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 13 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 claimed
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 claimed
EP-2111406-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS Merck & Co., Inc. (US) 2009-10-28 EP claimed
WO-2008088688-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 WO claimed
US-20080171761-A1 Substituted spirochromanone derivatives MERCK SHARP & DOHME LLC 2008-07-17 US claimed
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
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
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
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 ACACB 713/4885KMT2A 3886/4885ACACA 470/4885

“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.