Sugi Predict

Sugi Predict / Compounds / SCHEMBL1969946

SCHEMBL1969946

SCHEMBL1969946

O=C(NC1CCCCC1)c1cc(F)c(Cl)nc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.68
▸ RAB9A P51151 4/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ HPGD P15428 2/20 0.56
▸ ACKR3 P25106 1/20 0.53
▸ KEAP1 Q14145 1/20 0.51
▸ NFE2L2 Q16236 1/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ ATM Q13315 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA3 P07451 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47

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
SCHEMBL4513190 0.82 HPGD (0.51) NPC1RAB9ASMN1; SMN2HPGDACKR3
SCHEMBL3455703 0.81 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL1972361 0.80 HSD11B1 (0.57) NPC1RAB9ASMN1; SMN2
SCHEMBL3174715 0.79 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL1970134 0.77 SLC6A12 (0.62) NPC1RAB9ASMN1; SMN2HPGDACKR3
SCHEMBL1018323 0.75 NPC1 (0.50) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL31048876 0.75 KEAP1 (0.65) NPC1RAB9ASMN1; SMN2HPGDACKR3
SCHEMBL5431692 0.74 RAB9A (0.60) NPC1RAB9ASMN1; SMN2HPGDACKR3
SCHEMBL5423494 0.74 RAB9A (0.60) NPC1RAB9ASMN1; SMN2HPGDACKR3
SCHEMBL30961274 0.74 NR3C1 (0.49) NPC1RAB9ASMN1; SMN2HPGDKMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673938-B2 Chemical compounds ASTRAZENECA AB (SE) 2014-03-18 — — US disclosed
US-8673938-B2 Chemical compounds ASTRAZENECA AB (SE) 2014-03-18 — — US disclosed
US-8673938-B2 Chemical compounds ASTRAZENECA AB (SE) 2014-03-18 — — US disclosed
EP-2233480-B1 Chemical compounds ASTRAZENECA AB (SE) 2013-05-29 — — EP disclosed
EP-2086939-B8 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2011-06-22 — — EP disclosed
US-7964618-B2 2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-3-piperidyl]acetic acid, for example; compounds possess human 11- beta-hydroxysteroid dehydrogenase type1 enzyme (11 beta HSD1) inhibitory activity and accordingly have value in treatment of disease states including metabolic syndrome ASTRAZENECA AB (SE) 2011-06-21 — — US disclosed
US-7964618-B2 2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-3-piperidyl]acetic acid, for example; compounds possess human 11- beta-hydroxysteroid dehydrogenase type1 enzyme (11 beta HSD1) inhibitory activity and accordingly have value in treatment of disease states including metabolic syndrome ASTRAZENECA AB (SE) 2011-06-21 — — US disclosed
US-7964618-B2 2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-3-piperidyl]acetic acid, for example; compounds possess human 11- beta-hydroxysteroid dehydrogenase type1 enzyme (11 beta HSD1) inhibitory activity and accordingly have value in treatment of disease states including metabolic syndrome ASTRAZENECA AB (SE) 2011-06-21 — — US disclosed
EP-2233480-A1 Chemical compounds AstraZeneca AB (SE) 2010-09-29 — — EP disclosed
EP-2086939-B1 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2010-07-28 — — EP disclosed
US-20090312372-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-17 — — US disclosed
US-20090312372-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-17 — — US disclosed
US-20090306075-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-10 — — US disclosed
US-20090306075-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-10 — — US disclosed
US-20090306075-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-12-10 — — US disclosed
EP-2086939-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS AstraZeneca AB (SE) 2009-08-12 — — EP disclosed
US-20080269288-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-10-30 — — US disclosed
US-20080269288-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-10-30 — — US disclosed
US-20080269288-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-10-30 — — US disclosed
WO-2008053194-A2 PYRIDINE CARBOXAMIDES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-05-08 — — 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 (3 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-20090312372-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 NPC1 603/4885RAB9A 1176/4885SMN1; SMN2 4090/4885
US-20080269288-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 NPC1 603/4885RAB9A 1176/4885SMN1; SMN2 4090/4885
US-20090306075-A1 CHEMICAL COMPOUNDS HSD11B1, CYP11B1, CYP4A11 NPC1 603/4885RAB9A 1176/4885SMN1; SMN2 4090/4885

“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.