SCHEMBL5111742

SCHEMBL5111742

Nc1ccc(F)cc1N1CCC(NC(=O)C2(NC(=O)c3cc4ccccc4o3)CCCCC2)C(O)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.42
HDAC1 Q13547 1/20 0.42
TACR2 P21452 4/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA7 P36544 1/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL5105055 0.91 NPSR1 (0.44) TACR2TP53NPC1NPSR1KDM4E
SCHEMBL5098244 0.90 TACR2 (0.40) HDAC2HDAC1TACR2TP53LMNA
SCHEMBL5101562 0.89 TACR2 (0.40) HDAC2HDAC1TACR2TP53LMNA
SCHEMBL5110965 0.87 TACR2 (0.41) TACR2TP53LMNANPC1NPSR1
SCHEMBL5110959 0.87 TACR2 (0.39) HDAC2HDAC1TACR2TP53LMNA
SCHEMBL5104505 0.87 TACR2 (0.44) TACR2TP53NPC1NPSR1KDM4E
SCHEMBL5105484 0.85 TACR2 (0.43) TACR2TP53NPC1NPSR1KDM4E
SCHEMBL5105708 0.85 TACR2 (0.40) HDAC2HDAC1TACR2TP53NPC1
SCHEMBL5110617 0.85 TACR2 (0.43) TACR2TP53NPC1NPSR1KDM4E
SCHEMBL5102039 0.84 TACR2 (0.40) TACR2TP53LMNANPC1NPSR1

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-7342027-B2 1-phenylpiperidin-3-one derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2008-03-11 US disclosed
US-20050234057-A1 1-Phenylpiperidin-3-one derivatives and processes for the preparation thereof DONG-A PHARMACEUTICAL CO., LTD. (KR) 2005-10-20 US disclosed
WO-2004011457-A1 1-PHENYLPIPERIDIN-3-ONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2004-02-05 WO 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-20050234057-A1 1-Phenylpiperidin-3-one derivatives and processes for the preparation thereof CTRL, PRCP, CLPP HDAC2 1287/4885HDAC1 992/4885TACR2 3647/4885

“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.