SCHEMBL3746484

SCHEMBL3746484

Clc1c(CBr)sc2cc3c(cc12)OCO3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
HSP90AA1 P07900 1/20 0.33
MPO P05164 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
HTR2C P28335 2/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 2/20 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
SCHEMBL3747084 0.84 NPC1 (0.38) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL6178336 0.71 ALDH1A1 (0.39) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL7866168 0.70 MCL1 (0.55) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL3753518 0.70 RAB9A (0.50) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL13662606 0.70 RAB9A (0.50) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL13659599 0.68 MAPT (0.48) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL13659648 0.67 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL3747514 0.67 BCKDK (0.51) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL3741269 0.67 MAPK1 (0.55) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL6178899 0.65 MAOB (0.43) NPC1RAB9AMAPTSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834194-B2 Metabolic disorders; antidiabetic agents; hypoglycemic agents; obesity; hypotensive agents ELI LILLY AND COMPANY (US) 2010-11-16 US disclosed
US-7834194-B2 Metabolic disorders; antidiabetic agents; hypoglycemic agents; obesity; hypotensive agents ELI LILLY AND COMPANY (US) 2010-11-16 US disclosed
US-7834194-B2 Metabolic disorders; antidiabetic agents; hypoglycemic agents; obesity; hypotensive agents ELI LILLY AND COMPANY (US) 2010-11-16 US disclosed
US-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-08-28 US disclosed
EP-1830840-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-16 EP disclosed
EP-1830840-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-09-12 EP disclosed
WO-2006068991-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-06-29 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-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD17B10 NPC1 343/4885RAB9A 2695/4885MAPT 4362/4885

“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.