SCHEMBL309504

SCHEMBL309504

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
PLK1 P53350 1/20 0.32
HCN1 O60741 1/20 0.32
HCN4 Q9Y3Q4 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BRPF1 P55201 1/20 0.31
RET P07949 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 0.87 KDM4E (0.36) RXFP1TP53SMN1; SMN2USP2LMNA
SCHEMBL308725 0.86 MEN1 (0.36) RXFP1TP53SMN1; SMN2USP2LMNA
SCHEMBL308796 0.78 RXFP1 (0.38) RXFP1TP53SMN1; SMN2USP2AXL
SCHEMBL308604 0.78 PTGDR2 (0.33) MEN1KMT2A
SCHEMBL309039 0.77 PTGDR2 (0.33)
SCHEMBL732979 0.69 PDE5A (0.33)
SCHEMBL4782659 0.67 GLA (0.38) TP53SMN1; SMN2LMNAKDM4E
SCHEMBL308430 0.66 ALDH1A1 (0.34) MEN1KMT2A
SCHEMBL3841130 0.66 CSF1R (0.33) PLK1LMNA
SCHEMBL309221 0.66 TSHR (0.40) RXFP1TP53LMNAKDM4EMEN1

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 3 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
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 1755/4885SMN1; SMN2 3753/4885

“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.