SCHEMBL308796

SCHEMBL308796

CCOC(=O)c1cc(OCC)c2c(C(=O)NC)cn(C3CC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
GLA P06280 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
ADRB2 P07550 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4782659 0.90 GLA (0.38) TP53LMNAALDH1A1KDM4ECYP3A4
SCHEMBL308973 0.87 TSHR (0.39) LMNAALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL309447 0.84 GLA (0.34) RXFP1TP53ALDH1A1HPGDGLA
SCHEMBL4782664 0.84 TSHR (0.37) TP53LMNAALDH1A1KDM4ECYP3A4
SCHEMBL309504 0.78 RXFP1 (0.40) RXFP1TP53LMNAKDM4ESMN1; SMN2
SCHEMBL309221 0.76 TSHR (0.40) RXFP1TP53LMNAALDH1A1KDM4E
SCHEMBL309106 0.76 HSD17B2 (0.44) LMNAALDH1A1CYP2C19CA12CA1
SCHEMBL308834 0.75 TSHR (0.35) RXFP1TP53LMNAALDH1A1KDM4E
SCHEMBL308549 0.74 GLA (0.41) TP53ALDH1A1HPGDGLACA12
SCHEMBL308415 0.74 ACACB (0.40) ALDH1A1KDM4EGLAMAPTSMN1; SMN2

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 RXFP1 447/4885TP53 1755/4885LMNA 1114/4885

“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.