SCHEMBL3083169

SCHEMBL3083169

NC(=O)c1ccccc1N1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 1.00
HTT P42858 2/20 0.63
KDM4E B2RXH2 3/20 0.60
MAPT P10636 3/20 0.60
HSD17B10 Q99714 2/20 0.60
MEN1 O00255 1/20 0.60
THRB P10828 1/20 0.60
ALOX15 P16050 1/20 0.60
GFER P55789 1/20 0.60
YWHAG P61981 1/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KEAP1 Q14145 1/20 0.53
CDC7 O00311 2/20 0.51
CDK9 P50750 1/20 0.51
L3MBTL1 Q9Y468 5/20 0.50
NPSR1 Q6W5P4 3/20 0.50
ATM Q13315 2/20 0.50
TSHR P16473 2/20 0.50

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
SCHEMBL605593 1.00 NPC1 (1.00) NPC1HTTKDM4EMAPTHSD17B10
SCHEMBL31565663 0.98 NPC1 (0.96) NPC1HTTKDM4EMAPTHSD17B10
SCHEMBL3654065 0.98 NPC1 (0.96) NPC1HTTKDM4EMAPTHSD17B10
SCHEMBL17009548 0.94 NPC1 (0.89) NPC1HTTKDM4EMAPTHSD17B10
Trifluoroacetic Acid SCHEMBL5104669 0.89 NPC1 (0.79) NPC1HTTKDM4EMAPTHSD17B10
SCHEMBL7101608 0.86 NPC1 (0.76) NPC1HTTKDM4EMAPTHSD17B10
SCHEMBL3961543 0.85 NPC1 (0.72) NPC1HTTKDM4EMAPTHSD17B10
SCHEMBL7102897 0.84 NPC1 (0.73) NPC1HTTKDM4EMAPTHSD17B10
SCHEMBL2505914 0.84 NPC1 (0.73) NPC1HTTKDM4EMAPTHSD17B10
SCHEMBL227731 0.83 NPC1 (0.71) NPC1HTTKDM4EALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631560-A2 C-FMS KINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-03-08 EP claimed
US-20050004112-A1 C-fms kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-01-06 US claimed
WO-2004096795-A2 C-FMS KINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-11-11 WO claimed
US-7790724-B2 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 US disclosed
EP-2016057-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-21 EP disclosed
US-7429603-B2 Such as 5-nitro-furan-2-carboxylic acid (2-piperidin-1-yl-phenyl)-amide; diabetes, angiogenesis, psoriasis, restenosis, schizophrenia, rheumatoid arthritis, cardiovascular disease, cancer 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
WO-2007123516-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 WO disclosed
US-20060258666-A1 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-16 US disclosed
EP-1631560-A2 C-FMS KINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-03-08 EP disclosed
US-20050004112-A1 C-fms kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-01-06 US disclosed
WO-2004096795-A2 C-FMS KINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-11-11 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 (2 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-20060258666-A1 c-fms kinase inhibitors FLT3, FES, FER NPC1 4368/4885HTT 2335/4885KDM4E 1464/4885
US-20050004112-A1 C-fms kinase inhibitors FLT3, FGR, FER NPC1 4334/4885HTT 2398/4885KDM4E 1258/4885

“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.