SCHEMBL5633385

SCHEMBL5633385

c1ccc2oc(CN3CC[N]CC3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.54
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.49
DRD3 P35462 5/20 0.48
DRD2 P14416 3/20 0.48
DRD4 P21917 2/20 0.48
SOS1 Q07889 1/20 0.47
DRD1 P21728 1/20 0.44
HTT P42858 1/20 0.43
GFER P55789 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
SCHEMBL4908136 0.83 SOS1 (0.67) NPC1MAPTRAB9ATP53SMN1; SMN2
SCHEMBL1514939 0.83 SOS1 (0.67) NPC1MAPTRAB9ATP53SMN1; SMN2
SCHEMBL23964195 0.77 DRD3 (0.60) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL10566155 0.76 DRD3 (0.60) NPC1MAPTRAB9ASMN1; SMN2DRD3
SCHEMBL20964519 0.74 CACNA1G (0.49) NPC1MAPTRAB9ATP53SMN1; SMN2
SCHEMBL23964126 0.74 DRD3 (0.51) NPC1MAPTRAB9ATP53SMN1; SMN2
SCHEMBL23964258 0.74 DRD3 (0.50) NPC1MAPTRAB9ATP53SMN1; SMN2
SCHEMBL23964351 0.74 DRD4 (0.49) NPC1MAPTRAB9ADRD3DRD2
SCHEMBL23964197 0.74 DRD3 (0.47) NPC1MAPTRAB9ATP53SMN1; SMN2
SCHEMBL23964165 0.73 DRD3 (0.49) NPC1MAPTRAB9ADRD3DRD2

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-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 US disclosed
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-09-07 US disclosed
EP-1586558-A2 Bis-sulfonamide hydroxyethylamino retroviral protease inhinitors G.D. Searle LLC. (US) 2005-10-19 EP disclosed
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2004-04-01 US disclosed
US-6569882-B2 Viricides; enzyme inhibitors G. D. SEARLE & CO. 2003-05-27 US disclosed
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-01-16 US disclosed
US-6143747-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-11-07 US disclosed
EP-0804428-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 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-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP NPC1 2211/4885MAPT 1422/4885RAB9A 941/4885
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors PRSS1, DNPEP, PREP NPC1 2193/4885MAPT 1389/4885RAB9A 1011/4885
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP NPC1 2211/4885MAPT 1422/4885RAB9A 941/4885

“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.