SCHEMBL1574898

SCHEMBL1574898

CC(C)CN(CC(C)C)C1CN(C(=O)NCCc2cccs2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD11B1 P28845 1/20 0.44
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
NAMPT P43490 1/20 0.42
TAAR1 Q96RJ0 4/20 0.42
P2RY12 Q9H244 1/20 0.41

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
SCHEMBL1574597 0.87 NPC1 (0.47) ADAM17NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL1574915 0.86 ADAM17 (0.50) ADAM17NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL1575367 0.85 CASP3 (0.47) ADAM17NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL1574331 0.85 ADAM17 (0.50) ADAM17NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL1574722 0.81 ALDH1A1 (0.47) NPC1RAB9ANAMPT
SCHEMBL1574478 0.80 ADAM17 (0.47) ADAM17NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL1575705 0.78 OPRM1 (0.45) ADAM17NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL1575747 0.77 OPRM1 (0.43) ADAM17NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL1575457 0.75 NPC1 (0.46) ADAM17NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL5466325 0.74 NPC1 (0.54) ADAM17NPC1RAB9ASMN1; SMN2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308562-A2 Azetidine ring compounds and drugs comprising the same Ono Pharmaceutical Co., Ltd. (JP) 2011-04-13 EP disclosed
US-7511159-B2 Azetidine ring compounds and drugs comprising the same ONO PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
US-20070135402-A1 Azetidine ring compounds and drugs comprising the same ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 US disclosed
EP-1698375-A1 AZETIDINE RING COMPOUNDS AND DRUGS COMPRISING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20070135402-A1 Azetidine ring compounds and drugs comprising the same EDNRA, LIPG, EDNRB ADAM17 2205/4885NPC1 413/4885RAB9A 898/4885

“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.