SCHEMBL3735124

SCHEMBL3735124

CCOP(=O)(O)CC(=O)c1ccc(F)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
SRC P12931 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
IDO1 P14902 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 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
SCHEMBL27790964 0.82 PIM1 (0.50) PIM1SRCMAPTKMT2AKDM4E
SCHEMBL2322449 0.81 HTR7 (0.47) MAPTKMT2AKDM4EPOLBHDAC1
SCHEMBL6490069 0.81 HPGD (0.51) MAPTKMT2AKDM4EPOLBMEN1
SCHEMBL3735121 0.78 PIM1 (0.47) PIM1SRCMAPTKMT2AKDM4E
SCHEMBL2325155 0.78 TSHR (0.36) MAPTKMT2AKDM4EPOLBMEN1
SCHEMBL2324778 0.76 CES2 (0.45) MAPTKMT2AMEN1ALDH1A1TAS1R3
SCHEMBL5733605 0.76 NPC1 (0.51) KMT2AKDM4EPOLBHDAC1MEN1
SCHEMBL8256684 0.75 PIM1 (0.55) PIM1SRCMAPTKMT2AKDM4E
SCHEMBL2329637 0.75 TDP1 (0.43) MAPTKMT2AKDM4EPOLBMEN1
SCHEMBL5733074 0.74 L3MBTL1 (0.47) MAPTKMT2AKDM4EPOLBMEN1

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
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 PIM1 4785/4885SRC 4366/4885MAPT 2958/4885

“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.