SCHEMBL308725

SCHEMBL308725

CCOc1c[c]cc2c1c(C(N)=O)cn2C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
PIM1 P11309 2/20 0.31
TTK P33981 2/20 0.31
PIM2 Q9P1W9 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 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
SCHEMBL308527 0.89 KDM4E (0.36) MEN1KMT2ARXFP1TP53TSHR
SCHEMBL309504 0.86 RXFP1 (0.40) MEN1KMT2ARXFP1TP53USP2
SCHEMBL308604 0.80 PTGDR2 (0.33) MEN1KMT2AALDH1A1HTT
SCHEMBL309221 0.79 TSHR (0.40) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL309039 0.79 PTGDR2 (0.33) ALDH1A1HTT
SCHEMBL308973 0.77 TSHR (0.39) TSHRALDH1A1NPC1MAPTRAB9A
SCHEMBL732979 0.70 PDE5A (0.33)
SCHEMBL4782659 0.68 GLA (0.38) TP53ALDH1A1NPC1MAPTRAB9A
SCHEMBL308260 0.68 OPRM1 (0.48) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL308430 0.68 ALDH1A1 (0.34) MEN1KMT2AALDH1A1MAPTHTT

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 MEN1 1804/4885KMT2A 3886/4885OPRM1 760/4885

“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.