SCHEMBL5098564

SCHEMBL5098564

CCn1c(SCc2ccccc2)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
LMNA P02545 5/20 0.49
HTT P42858 4/20 0.49
TSHR P16473 4/20 0.49
HSD11B1 P28845 4/20 0.49
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
HSP90AA1 P07900 1/20 0.45
TP53 P04637 2/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5095855 0.88 HTT (0.51) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL5095968 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL5098618 0.82 MEN1 (0.43) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL5104929 0.82 MEN1 (0.46) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL611826 0.82 HSD11B1 (0.58) ALDH1A1MEN1KMT2AHSD11B1TP53
SCHEMBL5105009 0.81 TSHR (0.59) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL5098169 0.80 HTT (0.53) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL5098140 0.79 HSD11B1 (0.63) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL5104580 0.78 HSD11B1 (0.47) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL5092201 0.77 HSD11B1 (0.60) ALDH1A1MEN1KMT2AHSD11B1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME CORP. 2005-03-31 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-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD17B1, HSD11B2 ALDH1A1 688/4885MEN1 2285/4885KMT2A 2645/4885

“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.