SCHEMBL441115

SCHEMBL441115

CC(C)(C)c1cnc(C2CCC(C(=O)O)CC2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
DGAT1 O75907 2/20 0.36
SOAT1 P35610 1/20 0.36
CDK2 P24941 4/20 0.35
CCNE2 O96020 3/20 0.35
CCNE1 P24864 3/20 0.35
CA12 O43570 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CA1 P00915 2/20 0.35
CYP2C9 P11712 1/20 0.35
HDAC4 P56524 1/20 0.35
KMT2A Q03164 2/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
MEN1 O00255 1/20 0.35
CDK9 P50750 3/20 0.34
CCNT1 O60563 2/20 0.34
CDK7 P50613 2/20 0.34

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
SCHEMBL408388 1.00 NPC1 (0.36) NPC1RAB9ADGAT1SOAT1CDK2
SCHEMBL2586983 0.81 DGAT1 (0.40) NPC1RAB9ADGAT1SOAT1CA12
SCHEMBL2586987 0.81 DGAT1 (0.40) NPC1RAB9ADGAT1SOAT1CA12
SCHEMBL31503521 0.79 KDM4E (0.35) CDK2CCNE2CCNE1CA12CA2
SCHEMBL13141278 0.79 CNR1 (0.37) NPC1CDK2CA12CA2CA9
SCHEMBL13179305 0.77 CDK2 (0.39) NPC1RAB9ACDK2CCNE2CCNE1
SCHEMBL31503394 0.75 CDK9 (0.33) CDK2CCNE2CCNE1KMT2AMEN1
SCHEMBL443032 0.74 PDK2 (0.39) NPC1RAB9AKMT2AAKR1C3AKR1C1
SCHEMBL408397 0.74 PDK2 (0.39) NPC1RAB9AKMT2AAKR1C3AKR1C1
SCHEMBL174631 0.74 KMT2A (0.50) NPC1RAB9ACA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT NPC1 142/4885RAB9A 1525/4885DGAT1 2/4885

“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.