SCHEMBL1470808

SCHEMBL1470808

CC(C)(C)OC(=O)N(CCNc1ccccc1[N+](=O)[O-])Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
RAB9A P51151 4/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
SNCA P37840 1/20 0.43
KAT2B Q92831 2/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL24492370 0.87 MAPT (0.45) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL1470751 0.83 SMN1; SMN2 (0.42) HDAC1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL1471319 0.82 HDAC1 (0.50) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL1471034 0.79 HDAC3 (0.47) HDAC3HDAC1HDAC2NCOR2RAB9A
SCHEMBL1470951 0.78 KDM4E (0.46) HDAC3HDAC1HDAC2NCOR2LMNA
SCHEMBL25720359 0.77 MAPT (0.53) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL7344558 0.77 KMT2A (0.42) HDAC3HDAC1HDAC2NCOR2RAB9A
SCHEMBL7206187 0.76 HDAC3 (0.55) HDAC3HDAC1HDAC2NCOR2KMT2A
SCHEMBL3157887 0.76 CRHBP (0.60) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2
SCHEMBL2593275 0.76 CRHBP (0.54) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2

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 4 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
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 HDAC3 127/4885HDAC1 354/4885HDAC2 283/4885
US-20050049239-A1 Aryl piperidine amides BDNF, NTRK2, OPRL1 HDAC3 127/4885HDAC1 354/4885HDAC2 283/4885

“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.