SCHEMBL408891

SCHEMBL408891

O=C(O)C1CCc2cc(-c3ccccc3)cn2C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
AKR1C3 P42330 6/20 0.41
AKR1C1 Q04828 3/20 0.41
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCL1 Q07820 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
SCHEMBL463267 0.71 WDR5 (0.52) NOTUMNPC1RAB9AKDM4EMAPT
Hydrochloric Acid SCHEMBL440262 0.70 WDR5 (0.51) NOTUMNPC1RAB9AKDM4EMAPT
Biphenyl SCHEMBL7614586 0.69 RAB9A (0.63) NOTUMNPC1RAB9AAKR1C3AKR1C1
Biphenyl SCHEMBL7610874 0.69 RAB9A (0.57) NOTUMNPC1RAB9AAKR1C3AKR1C1
Biphenyl SCHEMBL7611759 0.69 RAB9A (0.74) NOTUMNPC1RAB9AAKR1C3AKR1C1
Biphenyl SCHEMBL11881576 0.69 RAB9A (0.74) NOTUMNPC1RAB9AAKR1C3AKR1C1
SCHEMBL8447696 0.68 HTR2A (0.43) NOTUMAKR1C3AKR1C1
SCHEMBL1126871 0.67 WDR5 (0.47) NPC1RAB9AKDM4EMAPTPKM
Biphenyl SCHEMBL7615710 0.67 RAB9A (0.55) NPC1RAB9AAKR1C3AKR1C1
SCHEMBL942428 0.66 KDM4E (0.45) NPC1RAB9AKDM4EMAPTPKM

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 1 patent. 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

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 NOTUM 255/4885NPC1 142/4885RAB9A 1525/4885

“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.