SCHEMBL3876309

SCHEMBL3876309

CCC(N)C(O)c1noc(-c2ccc(F)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 2/20 0.45
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
ATM Q13315 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 5/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL3876312 1.00 TPH1 (0.45) TPH1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8290853 1.00 TPH1 (0.45) TPH1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8293809 0.86 NOTUM (0.45) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2164727 0.86 NOTUM (0.45) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2164730 0.86 NOTUM (0.45) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL14427085 0.79 CA2 (0.41) NPC1RAB9AALDH1A1MAPTPPARA
SCHEMBL5385690 0.79 CA2 (0.41) NPC1RAB9AALDH1A1MAPTPPARA
SCHEMBL6378156 0.79 CA2 (0.41) NPC1RAB9AALDH1A1MAPTPPARA
SCHEMBL14814648 0.78 NPC1 (0.47) TPH1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL10094548 0.75 MAOA (0.56) TPH1NPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-08-24 US disclosed
EP-1682524-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO disclosed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 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-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK TPH1 4758/4885NPC1 59/4885RAB9A 419/4885

“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.