SCHEMBL4940764

SCHEMBL4940764

O=Cc1ccc(N2CCC(CN3CCCC3)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.70
ALDH1A1 P00352 10/20 0.70
ALDH1A3 P47895 2/20 0.70
LMNA P02545 7/20 0.53
MAPK1 P28482 8/20 0.52
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 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
SCHEMBL28131280 0.84 MAPT (0.67) MAPTALDH1A1ALDH1A3LMNAMAPK1
SCHEMBL1419188 0.84 ALDH1A1 (1.00) MAPTALDH1A1ALDH1A3LMNAMAPK1
SCHEMBL4934984 0.82 GAA (0.50) MAPTALDH1A1ALDH1A3LMNAMAPK1
SCHEMBL1418324 0.82 ALDH1A1 (0.97) MAPTALDH1A1ALDH1A3LMNAMAPK1
SCHEMBL29912570 0.82 ALDH1A1 (0.97) MAPTALDH1A1ALDH1A3LMNAMAPK1
SCHEMBL14282076 0.81 GAA (0.52) MAPTALDH1A1ALDH1A3LMNAMAPK1
SCHEMBL4941255 0.81 ALDH1A1 (0.68) MAPTALDH1A1ALDH1A3LMNAMAPK1
SCHEMBL4939884 0.81 ALDH1A1 (0.68) MAPTALDH1A1ALDH1A3GAAHTT
SCHEMBL6988166 0.80 MAPT (0.72) MAPTALDH1A1ALDH1A3LMNAMAPK1
SCHEMBL4939842 0.79 ALDH1A1 (0.56) MAPTALDH1A1LMNAMAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines APODACA RICHARD L 2008-01-03 US disclosed
US-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines APODACA RICHARD L 2008-01-03 US disclosed
US-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines APODACA RICHARD L 2008-01-03 US disclosed
US-7279491-B2 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-09 US disclosed
US-7279491-B2 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-09 US disclosed
US-7279491-B2 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-09 US disclosed
EP-1556046-A1 PHENYLPIPERIDINES AND PHENYLPYRROLIDINES AS HISTAMINE H3 RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2005-07-27 EP disclosed
US-20040087573-A1 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2004-05-06 US disclosed
WO-2004037257-A1 PHENYLPIPERIDINES AND PHENYLPYRROLIDINES AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 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 (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-20040087573-A1 Phenylpiperidines and phenylpyrrolidines HRH2, HNMT, HRH3 MAPT 1384/4885ALDH1A1 719/4885ALDH1A3 1984/4885
US-20080004314-A1 Phenylpiperidines and Phenylpyrrolidines HRH2, HNMT, HRH3 MAPT 1384/4885ALDH1A1 719/4885ALDH1A3 1984/4885

“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.