SCHEMBL5111935

SCHEMBL5111935

O=C(NC1(C(=O)NC2CCN(c3ccccc3NN3CC=CC3)CC2O)CCCCC1)c1cc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ATM Q13315 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 3/20 0.42
TACR2 P21452 4/20 0.41
TSHR P16473 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 3/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35

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 0.88 NPSR1 (0.44) NPSR1SMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL5104505 0.88 TACR2 (0.44) NPSR1SMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL5105484 0.86 TACR2 (0.43) NPSR1SMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL5110617 0.85 TACR2 (0.43) NPSR1SMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL5098358 0.85 NPSR1 (0.44) NPSR1SMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL5110470 0.85 NPSR1 (0.45) NPSR1SMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL5105087 0.85 NPSR1 (0.46) NPSR1SMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL5104941 0.84 TACR2 (0.42) NPSR1SMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL5110413 0.84 TACR2 (0.43) NPSR1SMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL5104909 0.84 TACR2 (0.41) NPSR1SMN1; SMN2NPC1ALDH1A1KDM4E

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 NPSR1 2767/4885SMN1; SMN2 4244/4885NPC1 729/4885

“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.