SCHEMBL2582694

SCHEMBL2582694

Nc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.58
DRD4 P21917 9/20 0.56
DRD2 P14416 8/20 0.55
DRD3 P35462 6/20 0.55
NAMPT P43490 1/20 0.55
SIGMAR1 Q99720 1/20 0.54
HTR1A P08908 2/20 0.53
HTR2A P28223 1/20 0.53
HTT P42858 1/20 0.53
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48

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
SCHEMBL6585625 0.89 DRD4 (0.63) HDAC4DRD4DRD2DRD3NAMPT
SCHEMBL2395932 0.89 DRD4 (0.67) HDAC4DRD4DRD2DRD3NAMPT
SCHEMBL10287534 0.86 SIGMAR1 (0.71) HDAC4DRD4DRD2DRD3NAMPT
SCHEMBL2395803 0.86 LMNA (0.60) HDAC4DRD4DRD2DRD3NAMPT
SCHEMBL29188191 0.85 DRD4 (0.67) HDAC4DRD4DRD2DRD3NAMPT
SCHEMBL2392338 0.85 DRD4 (0.56) HDAC4DRD4DRD2DRD3NAMPT
SCHEMBL13959654 0.85 DRD4 (0.56) HDAC4DRD4DRD2DRD3NAMPT
SCHEMBL2395917 0.85 MAPK1 (0.69) HDAC4DRD4DRD2DRD3NAMPT
SCHEMBL6264412 0.84 HTR1A (0.57) HDAC4DRD4DRD2DRD3NAMPT
SCHEMBL12499169 0.82 DRD4 (0.56) HDAC4DRD4DRD2DRD3NAMPT

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160081997-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-24 US disclosed
US-9227935-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICAL N.V. (BE) 2016-01-05 US disclosed
US-20150087629-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-03-26 US disclosed
US-8946228-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2015-02-03 US disclosed
EP-2155198-B1 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA NV (BE) 2014-08-13 EP disclosed
US-8354402-B2 Polyarylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-15 US disclosed
US-20110269747-A1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS MEERPOEL LIEVEN 2011-11-03 US disclosed
EP-1317431-B1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-20 EP disclosed
US-7816360-B2 Microsomal triglyceride transfer protein (MTP) inhibitors, used for the treatment of atherosclerosis, pancreatitis, obesity, hypertriglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and non-insulin dependent diabetes JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 US disclosed
US-20100210618-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 US disclosed
EP-1379515-B1 LIPID LOWERING BIPHENYLCARBOXAMIDES JANSSEN PHARMACEUTICA NV (BE) 2006-12-27 EP disclosed
US-20060241113-A1 Polyarylcarboxamides useful as lipid lowering agents MEERPOEL LIEVEN 2006-10-26 US disclosed
WO-2005085226-A1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-15 WO disclosed
US-20050159402-A1 Polyarylcarboxamides useful as lipid lowering agents MEERPOEL LIEVEN (BE) 2005-07-21 US disclosed
US-6878724-B2 Polyarylcarboxamides useful as lipid lowering agents JANSSEN-PHARMACEUTICA N.V. (BE) 2005-04-12 US disclosed
US-20040014971-A1 Polyarylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-22 US disclosed
EP-1379515-A1 LIPID LOWERING BIPHENYLCARBOXAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-14 EP disclosed
EP-1317431-A2 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2003-06-11 EP disclosed
WO-2002081460-A1 LIPID LOWERING BIPHENYLCARBOXAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2002-10-17 WO disclosed
WO-2002020501-A2 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-14 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 (7 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-20050159402-A1 Polyarylcarboxamides useful as lipid lowering agents LIPC, PNLIP, APOB HDAC4 799/4885DRD4 4063/4885DRD2 4425/4885
US-20060241113-A1 Polyarylcarboxamides useful as lipid lowering agents LIPC, PNLIP, APOB HDAC4 799/4885DRD4 4063/4885DRD2 4425/4885
US-20100210618-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, NAT1 HDAC4 2078/4885DRD4 432/4885DRD2 302/4885
US-20110269747-A1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS LIPC, PNLIP, APOB HDAC4 799/4885DRD4 4063/4885DRD2 4425/4885
US-20150087629-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, NAT1, SOAT1 HDAC4 1457/4885DRD4 368/4885DRD2 279/4885
US-20040014971-A1 Polyarylcarboxamides useful as lipid lowering agents SREBF1, LIPC, CPT1A HDAC4 1000/4885DRD4 4090/4885DRD2 4495/4885
US-20160081997-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, SOAT1 HDAC4 1688/4885DRD4 344/4885DRD2 244/4885

“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.