SCHEMBL6344139

SCHEMBL6344139

C[n+]1ccccc1C=C(c1ccccc1)N1CCCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCCC1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACHE P22303 2/20 0.35
TSHR P16473 1/20 0.35
HRH1 P35367 1/20 0.35
PDE4D Q08499 1/20 0.35
GAA P10253 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.33
USP2 O75604 2/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL8103467 0.90 ACHE (0.42) HPGDMEN1KMT2AACHETSHR
SCHEMBL8103469 0.90 ACHE (0.42) HPGDMEN1KMT2AACHETSHR
SCHEMBL6344962 0.90 PHGDH (0.38) HPGDMEN1KMT2ATSHRGAA
Iodide SCHEMBL5948723 0.88 KDM4E (0.44) HPGDMEN1KMT2AACHETSHR
Iodide SCHEMBL5948720 0.88 KDM4E (0.44) HPGDMEN1KMT2AACHETSHR
SCHEMBL8103321 0.78 TSHR (0.41) HPGDACHETSHRHRH1PDE4D
SCHEMBL8103317 0.78 TSHR (0.41) HPGDACHETSHRHRH1PDE4D
Iodide SCHEMBL5949586 0.77 SMN1; SMN2 (0.41) HPGDACHETSHRHRH1PDE4D
Iodide SCHEMBL5949583 0.77 SMN1; SMN2 (0.41) HPGDACHETSHRHRH1PDE4D
SCHEMBL11482052 0.67 HPGD (0.52) HPGDMEN1KMT2AGAAALDH1A1

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-20050004168-A1 New substituted pyridine or piperidine compounds METH-COHN OTTO (GB) 2005-01-06 US disclosed
US-20020040036-A1 New substituted pyridine or piperidine compounds ADIR ET COMPAGNIE 2002-04-04 US disclosed
US-20020035123-A1 New substituted pyridine or piperidine compounds ADIR ET COMPAGNIE 2002-03-21 US disclosed
US-6323220-B1 COGNITION ACTIVATORS AND TREATMENT OF NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-27 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 (3 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-20050004168-A1 New substituted pyridine or piperidine compounds HRH3, HRH4, HRH1 HPGD 173/4885MEN1 2244/4885KMT2A 1973/4885
US-20020035123-A1 New substituted pyridine or piperidine compounds OPRD1, CNR1, HRH4 HPGD 359/4885MEN1 3434/4885KMT2A 2175/4885
US-20020040036-A1 New substituted pyridine or piperidine compounds CNR1, OPRD1, OPRK1 HPGD 403/4885MEN1 3169/4885KMT2A 2442/4885

“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.