SCHEMBL3733165

SCHEMBL3733165

Cc1cc(C(=O)CCc2ccc(Cl)nc2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 8/20 0.44
KCNQ2 O43526 8/20 0.44
KCNE1 P15382 5/20 0.44
KCNQ1 P51787 5/20 0.44
MDM2 Q00987 1/20 0.44
PIM1 P11309 1/20 0.43
FFAR1 O14842 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
MMP13 P45452 1/20 0.38

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
SCHEMBL3740566 0.87 PIM1 (0.48) KCNQ3KCNQ2PIM1FFAR1KMT2A
SCHEMBL3730695 0.84 GPR84 (0.47) PIM1FFAR1ALDH1A1RAB9AL3MBTL1
SCHEMBL3743226 0.83 PIM1 (0.42) KCNQ3KCNQ2PIM1FFAR1MMP13
SCHEMBL3746155 0.82 PIM1 (0.43) KCNQ3KCNQ2KCNE1KCNQ1PIM1
SCHEMBL3733539 0.80 SLC5A1 (0.50) PIM1FFAR1ALDH1A1MAPTRAB9A
SCHEMBL3730053 0.79 PIM1 (0.47) PIM1FFAR1RAB9AKMT2AMMP13
SCHEMBL3738007 0.75 PDPK1 (0.44) PIM1FFAR1
SCHEMBL3739732 0.75 PIM1 (0.43) PIM1ALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL3738096 0.75 PDE4D (0.65) KCNQ3KCNQ2FFAR1MAPTRAB9A
SCHEMBL3740298 0.75 PPARD (0.41)

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 KCNQ3 1664/4885KCNQ2 2251/4885KCNE1 1693/4885

“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.