SCHEMBL3347182

SCHEMBL3347182

CC(C)Cc1ncc(C[NH])s1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
ADRB3 P13945 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12394759 0.86 ALDH1A1 (0.33) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12462040 0.82 FDPS (0.39) NPC1RAB9ASMN1; SMN2ADRB2ADRB1
SCHEMBL27593192 0.81 ADRB2 (0.31) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL3347187 0.81 LOXL2 (0.33) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL3350511 0.81 HRH3 (0.34) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13333690 0.78 MEN1 (0.32) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL13306238 0.77
SCHEMBL2629266 0.75 SLC6A3 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20341001 0.74 FBP1 (0.34) NPC1RAB9A
SCHEMBL13593857 0.72 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 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 (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-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP MEN1 2356/4885NPC1 593/4885RAB9A 874/4885

“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.