SCHEMBL3733539

SCHEMBL3733539

Cc1ccc(CCC(=O)c2ccc(F)c(C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.50
SLC5A2 P31639 1/20 0.50
PIM1 P11309 1/20 0.47
SRC P12931 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 1/20 0.44
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
NPC1 O15118 1/20 0.43
BCL2L1 Q07817 1/20 0.42
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
FFAR1 O14842 1/20 0.42

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
SCHEMBL3730695 0.90 GPR84 (0.47) PIM1L3MBTL1F2F10RAB9A
SCHEMBL3738007 0.86 PDPK1 (0.44) PIM1F2F10FFAR1
SCHEMBL3738077 0.85 FFAR1 (0.46) PIM1F2F10RAB9ABCL2L1
SCHEMBL3744996 0.85 PTGS2 (0.47) PIM1F2F10KMT2A
SCHEMBL3740566 0.82 PIM1 (0.48) PIM1SRCF2F10KMT2A
SCHEMBL4940823 0.82 KMT2A (0.62) SLC5A1SLC5A2L3MBTL1LMNAMAPT
SCHEMBL3730053 0.81 PIM1 (0.47) PIM1SRCF2F10RAB9A
SCHEMBL3733165 0.80 KCNQ3 (0.44) PIM1L3MBTL1LMNAMAPTRAB9A
SCHEMBL23367924 0.78 KMT2A (0.50) SLC5A1SLC5A2L3MBTL1LMNAMAPT
SCHEMBL3743226 0.78 PIM1 (0.42) PIM1FFAR1

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 SLC5A1 1673/4885SLC5A2 2210/4885PIM1 4785/4885

“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.