SCHEMBL1470870

SCHEMBL1470870

O=C(c1csc(CNCCNc2ccccc2[N+](=O)[O-])c1)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
NPY1R P25929 1/20 0.41
MC4R P32245 1/20 0.41
NPY2R P49146 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KAT2B Q92831 2/20 0.41
GPR174 Q9BXC1 1/20 0.40
LMNA P02545 4/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 3/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL1470738 0.84 HPGD (0.42) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL1470960 0.83 HRH3 (0.46) ALDH1A1MAPTL3MBTL1GAANPC1
SCHEMBL1471423 0.83 ALDH1A1 (0.47) ALDH1A1MAPTNPY1RMC4RNPY2R
SCHEMBL1470926 0.80 HRH3 (0.43) MAPTGAANPC1RAB9AKMT2A
SCHEMBL1470893 0.79 SMN1; SMN2 (0.40) ALDH1A1MAPTNPY1RMC4RNPY2R
SCHEMBL14960166 0.70 KAT2B (0.53) ALDH1A1MAPTKAT2BLMNASMN1; SMN2
SCHEMBL4908913 0.70 HTR1A (0.42) ALDH1A1MAPTGAAKMT2AMAPK1
SCHEMBL5695823 0.70 GPR174 (0.44) ALDH1A1MAPTL3MBTL1GPR174LMNA
Formaldehyde SCHEMBL1471009 0.69 MAPT (0.56) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL25941882 0.67 HCAR3 (0.51) ALDH1A1MAPTL3MBTL1LMNAGAA

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 6 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-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
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
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 952/4885MAPT 898/4885NPY1R 155/4885
US-20050049239-A1 Aryl piperidine amides BDNF, NTRK2, OPRL1 ALDH1A1 952/4885MAPT 898/4885NPY1R 155/4885

“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.