SCHEMBL3735555

SCHEMBL3735555

Cc1cnc(CCC(=O)c2ccc(F)c(C)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.48
WDR5 P61964 1/20 0.40
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SRC P12931 2/20 0.37
PDE2A O00408 3/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 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
SCHEMBL3746155 0.87 PIM1 (0.43) PIM1KMT2AKDM4EPOLBKCNQ3
SCHEMBL3741070 0.84 PIM1 (0.45) PIM1KMT2AKDM4EPOLBRAB9A
SCHEMBL3737701 0.83 PIM1 (0.44) PIM1KMT2AKDM4EPOLBSRC
SCHEMBL3740566 0.82 PIM1 (0.48) PIM1KMT2AKDM4EPOLBKCNQ3
SCHEMBL3730107 0.80 PIM1 (0.42) PIM1KMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL3735346 0.80 PIM1 (0.49) PIM1KMT2AKDM4EPOLBRAB9A
SCHEMBL3739782 0.77 PDE4D (0.58)
SCHEMBL3730053 0.76 PIM1 (0.47) PIM1KMT2AKDM4EPOLBRAB9A
SCHEMBL3732811 0.75 KCNH2 (0.46) PIM1KMT2AKDM4EPOLBRAB9A
SCHEMBL3739732 0.74 PIM1 (0.43) PIM1KMT2AKDM4EPOLBRAB9A

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
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
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 4785/4885WDR5 358/4885KMT2A 364/4885

“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.