SCHEMBL12433508

SCHEMBL12433508

COc1ccc(CCOc2cccc3[nH]c(C(=O)N[C@H]4CC[C@](O)(CCN5CC[C@H](O)[C@@H](C)C5)CC4)cc23)cn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SLC2A1 P11166 1/20 0.35
DRD3 P35462 2/20 0.34
DRD2 P14416 1/20 0.34
GSK3B P49841 4/20 0.34
CCNE1 P24864 4/20 0.34
CDK2 P24941 4/20 0.34
ACKR3 P25106 1/20 0.33
MAPT P10636 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
DYRK1A Q13627 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HTR7 P34969 2/20 0.32
CCR2 P41597 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL2319213 1.00 KMT2A (0.36) KMT2ANPC1POLBRAB9ASLC2A1
SCHEMBL2320224 0.95 KMT2A (0.37) KMT2ANPC1POLBRAB9ASLC2A1
SCHEMBL12432836 0.95 KMT2A (0.37) KMT2ANPC1POLBRAB9ASLC2A1
SCHEMBL2321347 0.92 DRD2 (0.41) KMT2ANPC1POLBRAB9ADRD3
SCHEMBL12433054 0.92 DRD2 (0.41) KMT2ANPC1POLBRAB9ADRD3
SCHEMBL2318094 0.90 CCNE1 (0.37) GSK3BCCNE1CDK2ACKR3
SCHEMBL2316242 0.90 DRD4 (0.39) KMT2ANPC1POLBRAB9ADRD3
SCHEMBL12432710 0.90 DRD4 (0.39) KMT2ANPC1POLBRAB9ADRD3
SCHEMBL2315624 0.88 KMT2A (0.40) KMT2ANPC1POLBRAB9ADRD3
SCHEMBL12433056 0.88 KMT2A (0.40) KMT2ANPC1POLBRAB9ADRD3

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-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US disclosed
US-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US disclosed
EP-2125782-B1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2011-08-03 EP disclosed
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2010-01-21 US disclosed
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2010-01-21 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-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES CYP2D6, CYP2B6, CYP2C9 KMT2A 1346/4885NPC1 572/4885POLB 3383/4885

“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.