SCHEMBL1470893

SCHEMBL1470893

CC(C)(C)OC(=O)N(CCNc1ccccc1[N+](=O)[O-])Cc1cc(C(=O)N2CCCCC2)cs1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
AR P10275 1/20 0.36
GPR174 Q9BXC1 1/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 1/20 0.36
CNR2 P34972 1/20 0.36
NPY1R P25929 1/20 0.35
MC4R P32245 1/20 0.35
NPY2R P49146 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
SCHEMBL1471054 0.87 CNR2 (0.37) MAPK1ALDH1A1KMT2ANPC1MAPT
SCHEMBL1470751 0.87 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1ALDH1A1HTTAR
SCHEMBL1470682 0.86 HRH3 (0.40) SMN1; SMN2MAPK1ALDH1A1HTTGAA
SCHEMBL1470870 0.79 ALDH1A1 (0.41) SMN1; SMN2MAPK1ALDH1A1HTTGPR174
SCHEMBL1470808 0.77 HDAC3 (0.47) SMN1; SMN2ALDH1A1LMNAGAAKMT2A
SCHEMBL24492370 0.74 MAPT (0.45) SMN1; SMN2MAPK1ALDH1A1HTTLMNA
SCHEMBL5695823 0.73 GPR174 (0.44) SMN1; SMN2MAPK1ALDH1A1HTTAR
SCHEMBL1470736 0.73 NPC1 (0.41) SMN1; SMN2ALDH1A1HTTLMNAKMT2A
SCHEMBL1470908 0.73 HTR1A (0.42) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL1471446 0.72 HDAC1 (0.41) SMN1; SMN2ALDH1A1HTTLMNAKMT2A

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 SMN1; SMN2 519/4885MAPK1 1699/4885ALDH1A1 952/4885
US-20050049239-A1 Aryl piperidine amides BDNF, NTRK2, OPRL1 SMN1; SMN2 519/4885MAPK1 1699/4885ALDH1A1 952/4885

“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.