SCHEMBL1096741

SCHEMBL1096741

CN1C(=O)c2ccccc2[C@H](n2ccnc2CO)C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PKM P14618 2/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP11B2 P19099 1/20 0.32
TP53 P04637 2/20 0.32
HTT P42858 1/20 0.32
STAT3 P40763 1/20 0.32
STAT1 P42224 1/20 0.32
SCN9A Q15858 3/20 0.32
SCN5A Q14524 2/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.31
HTR7 P34969 1/20 0.30
TOP1 P11387 1/20 0.30
HSD11B1 P28845 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL1097500 0.77 CYP11B2 (0.46) CYP11B2
SCHEMBL1098290 0.72 CYP19A1 (0.49) NPC1RAB9ASMN1; SMN2PKMMEN1
SCHEMBL1096672 0.72 CYP19A1 (0.49) NPC1RAB9ASMN1; SMN2PKMMEN1
SCHEMBL1097321 0.68 CYP11B2 (0.54) MEN1KMT2ACYP11B2MAPK1TSHR
SCHEMBL2818872 0.59 CYP11B2 (0.52) CYP11B2
SCHEMBL2818681 0.59 CYP11B2 (0.52) CYP11B2
SCHEMBL2819320 0.59 CYP11B2 (0.52) CYP11B2
SCHEMBL5657387 0.58 LMNA (0.33) KCNH2
SCHEMBL3427527 0.58 LMNA (0.33) MEN1KMT2ATSHRKDM4E
SCHEMBL31098559 0.58 DRD4 (0.48) MEN1KMT2AHTTMAPK1TSHR

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-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 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-20090182007-A1 ORGANIC COMPOUNDS REN, CYP17A1, HSD17B1 NPC1 777/4885RAB9A 3378/4885SMN1; SMN2 4735/4885

“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.