SCHEMBL4351778

SCHEMBL4351778

CC(C)CC(C(N)=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.56
▸ PSEN2 P49810 1/20 0.56
▸ APH1B Q8WW43 1/20 0.56
▸ NCSTN Q92542 1/20 0.56
▸ APH1A Q96BI3 1/20 0.56
▸ PSENEN Q9NZ42 1/20 0.56
▸ EPHX1 P07099 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ AKR1C3 P42330 2/20 0.43
▸ AKR1C2 P52895 2/20 0.43
▸ CES2 O00748 2/20 0.42
▸ CES1 P23141 2/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ FFAR1 O14842 3/20 0.40
▸ APP P05067 1/20 0.39
▸ CNR2 P34972 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
SCHEMBL2738579 0.80 CNR2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2738513 0.80 CNR2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3647916 0.80 ACHE (0.47) EPHX1ALDH1A1
SCHEMBL28189791 0.78 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3642653 0.78 FFAR2 (0.50) EPHX1APP
SCHEMBL2055563 0.78 EPHX1 (0.53) EPHX1AKR1C3AKR1C2CES2CES1
SCHEMBL19024394 0.78 EPHX1 (0.53) EPHX1AKR1C3AKR1C2CES2CES1
SCHEMBL3036448 0.78 EPHX1 (0.59) EPHX1ALDH1A1
SCHEMBL11076601 0.77 CES2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2738443 0.77 CNR2 (0.45) CES2CES1CNR2

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
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 — — US claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 — — WO claimed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 — — 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-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A PSEN1 2947/4885PSEN2 2207/4885APH1B 1022/4885

“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.

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