SCHEMBL3739732

SCHEMBL3739732

Cc1cc(C(=O)CCc2cnn(C)c2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
GRIN2B Q13224 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SRC P12931 2/20 0.41
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 3/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KCNH2 Q12809 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.36
GRIN1 Q05586 1/20 0.36

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
SCHEMBL3730053 0.79 PIM1 (0.47) PIM1GRIN2BKMT2ASRCRAB9A
SCHEMBL3733539 0.77 SLC5A1 (0.50) PIM1KMT2AL3MBTL1SRCRAB9A
SCHEMBL3740566 0.77 PIM1 (0.48) PIM1KMT2ASRCKDM4EPOLB
SCHEMBL3732811 0.76 KCNH2 (0.46) PIM1GRIN2BKMT2ASRCRAB9A
SCHEMBL3730695 0.76 GPR84 (0.47) PIM1KMT2AL3MBTL1RAB9AALDH1A1
SCHEMBL3733165 0.75 KCNQ3 (0.44) PIM1MEN1KMT2AL3MBTL1RAB9A
SCHEMBL3735555 0.74 PIM1 (0.48) PIM1MEN1KMT2AHSD17B10SRC
SCHEMBL3743226 0.73 PIM1 (0.42) PIM1
SCHEMBL3738007 0.73 PDPK1 (0.44) PIM1
SCHEMBL3741070 0.72 PIM1 (0.45) PIM1KMT2ASRCRAB9AKDM4E

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 4785/4885GRIN2B 58/4885MEN1 1772/4885

“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.