SCHEMBL6342736

SCHEMBL6342736

Cc1ccc(OC2CCN(C(=O)O)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
RECQL P46063 2/20 0.41
CYP3A4 P08684 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL216796 0.90 NPC1 (0.52) ALDH1A1SMN1; SMN2HTTTSHRMEN1
SCHEMBL213412 0.85 LMNA (0.45) ALDH1A1SMN1; SMN2HTTTSHRGAA
SCHEMBL30043078 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTGAAL3MBTL1
SCHEMBL12485845 0.83 GPR119 (0.43) ALDH1A1MAPT
SCHEMBL217293 0.83 HRH1 (0.46)
SCHEMBL17978448 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL18703021 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL29502913 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL6341704 0.80 EPHX2 (0.42) MEN1KMT2AKDM4E
SCHEMBL6136613 0.79 CYP1A2 (0.50) ALDH1A1HTTGAAMEN1KMT2A

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-20050272745-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB 2005-12-08 US disclosed
US-6969713-B2 Piperidine and piperazine acetamide derivatives ASTRAZENECA AB (SE) 2005-11-29 US disclosed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP disclosed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 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-20050272745-A1 Novel piperidine and piperazine derivatives CYP3A5, IL5, ABCC5 ALDH1A1 187/4885SMN1; SMN2 3028/4885HTT 2638/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 ALDH1A1 68/4885SMN1; SMN2 2063/4885HTT 2520/4885

“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.