SCHEMBL5092255

SCHEMBL5092255

Cn1c(-c2cccc(C(F)(F)F)c2)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.67
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PIM1 P11309 9/20 0.41
KDM1A O60341 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GABRA1 P14867 1/20 0.39
HPGD P15428 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL5098543 0.85 HSD11B1 (0.69) HSD11B1KDM4EPIM1
SCHEMBL5104997 0.85 HSD11B1 (0.77) HSD11B1KDM4EPOLBALDH1A1
SCHEMBL5092167 0.81 HSD11B1 (0.71) HSD11B1CYP1A2
Fig 1 SCHEMBL5095865 0.81 HSD11B1 (1.00) HSD11B1SMN1; SMN2
SCHEMBL5105117 0.76 HSD11B1 (0.74) HSD11B1ALDH1A1
SCHEMBL5092195 0.75 HSD11B1 (0.78) HSD11B1ALDH1A1CYP1A2HPGDSMN1; SMN2
SCHEMBL5095883 0.75 HSD11B1 (0.65) HSD11B1HPGD
SCHEMBL14077013 0.75 KDM4E (0.55) HSD11B1KDM4EHSD17B10PIM1POLB
SCHEMBL5098586 0.75 HSD11B1 (0.64) HSD11B1ALDH1A1CYP1A2
SCHEMBL5098612 0.73 HSD11B1 (0.74) HSD11B1ALDH1A1HPGD

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 HSD11B1 1/4885KDM4E 1589/4885HSD17B10 22/4885

“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.