SCHEMBL1623491

SCHEMBL1623491

c1ccc(COCn2cnc3ccc(OCCCN4CCCCC4)cc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HRH3 Q9Y5N1 11/20 0.52
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.49
NPY1R P25929 1/20 0.49
LTA4H P09960 1/20 0.48
HRH1 P35367 1/20 0.48
KCNH2 Q12809 1/20 0.48
TLR9 Q9NR96 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MET P08581 1/20 0.46
HRH2 P25021 1/20 0.46

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
SCHEMBL1621828 0.78 ALDH1A1 (0.54) KDM4EALDH1A1LTA4HHTTL3MBTL1
SCHEMBL3581020 0.75 NPC1 (0.87) NPC1RAB9ASMN1; SMN2HRH3KDM4E
SCHEMBL14970586 0.75 NPC1 (0.87) NPC1RAB9ASMN1; SMN2HRH3KDM4E
SCHEMBL4689454 0.73 KDM4E (0.86) NPC1RAB9ASMN1; SMN2HRH3KDM4E
SCHEMBL3046086 0.73 CYP3A4 (0.47) RAB9ASMN1; SMN2KDM4ELTA4HHTT
SCHEMBL1387408 0.73 NPC1 (0.79) NPC1RAB9ASMN1; SMN2HRH3KDM4E
SCHEMBL1623128 0.72 AGER (0.64) SMN1; SMN2ALDH1A1LTA4HHTTL3MBTL1
Hydrochloric Acid SCHEMBL7438703 0.72 NPC1 (0.77) NPC1RAB9ASMN1; SMN2HRH3KDM4E
SCHEMBL22440218 0.72 LTA4H (0.77) NPC1RAB9ASMN1; SMN2HRH3KDM4E
SCHEMBL6110561 0.71 HRH3 (0.60) NPC1RAB9ASMN1; SMN2HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US 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-20100056514-A1 THIENOPYRAZOLES ITK, IL2, TYK2 NPC1 4488/4885RAB9A 3618/4885SMN1; SMN2 3249/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 NPC1 4164/4885RAB9A 3718/4885SMN1; SMN2 3485/4885

“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.