SCHEMBL6337050

SCHEMBL6337050

CNCCOc1ccc(C)c(NC(=O)CN2CC(C)N(c3ncnc4ccccc34)C(C)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRNP P04156 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
AVPR1B P47901 1/20 0.37
ATM Q13315 1/20 0.37
ACHE P22303 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL6337051 1.00 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1POLBKMT2AL3MBTL1
SCHEMBL6336255 0.86 KCNA5 (0.40) SMN1; SMN2ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL6336259 0.86 KCNA5 (0.40) SMN1; SMN2ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL6332552 0.84 HRH3 (0.39) SMN1; SMN2ALDH1A1POLBKMT2AL3MBTL1
SCHEMBL6332549 0.84 HRH3 (0.39) SMN1; SMN2ALDH1A1POLBKMT2AL3MBTL1
SCHEMBL6490321 0.82 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1POLBKMT2AL3MBTL1
SCHEMBL6490324 0.82 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1POLBKMT2AL3MBTL1
SCHEMBL7571951 0.81 KCNA5 (0.42) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL6332647 0.80 PIK3CD (0.40)
SCHEMBL6332646 0.80 PIK3CD (0.40)

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-6969713-B2 Piperidine and piperazine acetamide derivatives ASTRAZENECA AB (SE) 2005-11-29 US claimed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP claimed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 US claimed
EP-1242427-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP claimed
WO-2001046200-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-28 WO claimed
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 SMN1; SMN2 3028/4885ALDH1A1 187/4885POLB 2266/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 SMN1; SMN2 2063/4885ALDH1A1 68/4885POLB 1853/4885

“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.