SCHEMBL5092145

SCHEMBL5092145

O=C(NNC(=S)Nc1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.67
ALDH1A1 P00352 6/20 0.55
GAA P10253 5/20 0.55
LMNA P02545 2/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAPK1 P28482 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NOX1 Q9Y5S8 1/20 0.54
P2RX2 Q9UBL9 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
P2RX4 Q99571 1/20 0.53
CRHBP P24387 1/20 0.53
HTT P42858 1/20 0.53
CRHR2 Q13324 1/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
EPHX2 P34913 2/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL25447578 0.87 P2RX7 (0.77) P2RX7ALDH1A1LMNANPC1RAB9A
SCHEMBL7705995 0.83 P2RX7 (0.71) P2RX7LMNANPC1RAB9AMEN1
SCHEMBL5923737 0.80 P2RX7 (1.00) P2RX7ALDH1A1RAB9AMAPK1MEN1
SCHEMBL14382279 0.79 GAA (0.48) P2RX7ALDH1A1GAALMNANPC1
SCHEMBL3360028 0.77 EPHX2 (0.72) P2RX7RAB9AMEN1KMT2AEPHX2
SCHEMBL25174574 0.77 P2RX7 (1.00) P2RX7ALDH1A1LMNANPC1RAB9A
SCHEMBL31552469 0.76 P2RX7 (0.60) P2RX7MEN1KMT2ASMN1; SMN2EPHX2
SCHEMBL25167029 0.76 P2RX7 (0.72) P2RX7ALDH1A1LMNANPC1RAB9A
SCHEMBL30431078 0.76 P2RX7 (0.72) P2RX7ALDH1A1LMNANPC1RAB9A
SCHEMBL19072437 0.74 P2RX7 (0.57) P2RX7MAPK1MEN1KMT2ASMN1; 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 8 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
EP-1474139-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO INC (US) 2007-11-21 EP disclosed
EP-1474139-A4 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO INC (US) 2005-06-29 EP 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
EP-1474139-A2 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA Merck & Co., Inc. (US) 2004-11-10 EP disclosed
WO-2003065983-A2 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO., INC. (US) 2003-08-14 WO 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 P2RX7 4725/4885ALDH1A1 688/4885GAA 1127/4885

“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.