SCHEMBL3950322

SCHEMBL3950322

O=C1C=CN(C(=O)OCc2ccccc2)C(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.53
PSEN2 P49810 3/20 0.53
APH1B Q8WW43 3/20 0.53
NCSTN Q92542 3/20 0.53
APH1A Q96BI3 3/20 0.53
PSENEN Q9NZ42 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ABCB1 P08183 1/20 0.43
HTR2C P28335 1/20 0.43
P2RX4 Q99571 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MITF O75030 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL3076603 0.89 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21326091 0.89 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5769009 0.87 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1660384 0.85 ELANE (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL757314 0.84 NR1H2 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8658861 0.83 HTR2C (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL757756 0.83 HTR2C (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3159251 0.82 P2RX7 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20449200 0.82 P2RX7 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13634009 0.80 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049517-B1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2013-11-27 EP disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
EP-2049517-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-04-22 EP disclosed
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 WO disclosed
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 WO disclosed
CN-1042335-C 1-acylpiperidine compounds NORVATIS AG (CH) 1999-03-03 CN disclosed
US-5646144-A FOR TREATING DISORDERS IN WHICH SUBSTANCE P PLAYS A PART IN DEVELOPMENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5541195-A SUBSTANCE P ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1996-07-30 US disclosed
EP-0532456-B1 1-Acylpiperidine derivatives and their use as substance P antagonists CIBA GEIGY AG (CH) 1995-03-29 EP disclosed
US-5310743-A Substance P antagonist CIBA-GEIGY CORP. (US) 1994-05-10 US disclosed
EP-0532456-A1 1-Acylpiperidine derivatives and their use as substance P antagonists CIBA-GEIGY AG (CH) 1993-03-17 EP 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-20090286790-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 PSEN1 461/4885PSEN2 966/4885APH1B 1039/4885

“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.