SCHEMBL1471423

SCHEMBL1471423

O=C(c1cccc(CNCCNc2ccccc2[N+](=O)[O-])c1)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GPR174 Q9BXC1 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL8305984 0.85 RAB9A (0.53) ALDH1A1MAPTLMNAHTTL3MBTL1
SCHEMBL1470949 0.85 RAB9A (0.47) ALDH1A1MAPTLMNAHTTRECQL
SCHEMBL1471258 0.84 RAB9A (0.47) ALDH1A1MAPTLMNAL3MBTL1PKM
SCHEMBL1471433 0.84 HPGD (0.47) ALDH1A1MAPTLMNAHTTRECQL
SCHEMBL1470779 0.84 RAB9A (0.47) ALDH1A1MAPTLMNAHTTRECQL
SCHEMBL14382950 0.84 HPGD (0.49) ALDH1A1MAPTLMNAHTTL3MBTL1
SCHEMBL1470870 0.83 ALDH1A1 (0.41) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL5695823 0.82 GPR174 (0.44) ALDH1A1GAAMAPTNPSR1LMNA
SCHEMBL1470886 0.82 RAB9A (0.45) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL1471240 0.81 RAB9A (0.47) ALDH1A1GAALMNAHTTRECQL

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
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 ALDH1A1 952/4885GAA 1523/4885MAPT 898/4885
US-20050049239-A1 Aryl piperidine amides BDNF, NTRK2, OPRL1 ALDH1A1 952/4885GAA 1523/4885MAPT 898/4885

“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.