SCHEMBL1470960

SCHEMBL1470960

CC(C)Nc1ccccc1NCCNCc1cc(C(=O)N2CCCCC2)cs1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
HPGD P15428 4/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PARP1 P09874 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
OPRM1 P35372 1/20 0.35
GAA P10253 1/20 0.35
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
SCHEMBL1470926 0.87 HRH3 (0.43) HRH3HPGDMAPTNPC1RAB9A
SCHEMBL1470738 0.86 HPGD (0.42) HRH3HPGDMAPK1MAPTALDH1A1
SCHEMBL1470870 0.83 ALDH1A1 (0.41) HPGDMAPK1MAPTALDH1A1NPC1
SCHEMBL1470886 0.82 RAB9A (0.45) HPGDMAPTALDH1A1NPC1RAB9A
SCHEMBL1470682 0.79 HRH3 (0.40) HRH3HPGDMAPK1MAPTALDH1A1
SCHEMBL4908913 0.77 HTR1A (0.42) HRH3HPGDMAPK1MAPTALDH1A1
SCHEMBL1471370 0.74
SCHEMBL4908909 0.72 HTR1A (0.42) HPGDKMT2ATDP1GAA
SCHEMBL1471240 0.71 RAB9A (0.47) HPGDALDH1A1NPC1RAB9ATSHR
SCHEMBL8305984 0.70 RAB9A (0.53) HPGDMAPK1MAPTALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US claimed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US claimed
JP-2007503440-A 2007-02-22 JP claimed
EP-1660472-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP claimed
WO-2005021525-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-10 WO claimed
US-20050049239-A1 Aryl piperidine amides JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 US claimed
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US disclosed
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US disclosed
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US disclosed
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US disclosed
EP-1660472-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
WO-2005021525-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-10 WO disclosed
WO-2005021525-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-10 WO disclosed
US-20050049239-A1 Aryl piperidine amides JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 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 (2 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-20080009521-A1 Aryl Piperidine Amides BDNF, NTRK2, OPRL1 HRH3 1790/4885HPGD 3042/4885MAPK1 1699/4885
US-20050049239-A1 Aryl piperidine amides BDNF, NTRK2, OPRL1 HRH3 1790/4885HPGD 3042/4885MAPK1 1699/4885

“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.