SCHEMBL6344962

SCHEMBL6344962

C[n+]1ccccc1C=C(c1ccccc1)N1CCOCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCOCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCOCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCOCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCOCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCOCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCOCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCOCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCOCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCOCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCOCC1.C[n+]1ccccc1C=C(c1ccccc1)N1CCOCC1.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 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AKR1C3 P42330 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 0.35
ALOX12 P18054 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL8103317 0.91 TSHR (0.41) PHGDHHPGDTSHRSMN1; SMN2GAA
SCHEMBL8103321 0.91 TSHR (0.41) PHGDHHPGDTSHRSMN1; SMN2GAA
SCHEMBL6344139 0.90 HPGD (0.36) HPGDTSHRKMT2AMEN1SMN1; SMN2
Iodide SCHEMBL5949583 0.89 SMN1; SMN2 (0.41) PHGDHHPGDTSHRSMN1; SMN2GAA
Iodide SCHEMBL5949586 0.89 SMN1; SMN2 (0.41) PHGDHHPGDTSHRSMN1; SMN2GAA
SCHEMBL8103467 0.79 ACHE (0.42) HPGDTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL8103469 0.79 ACHE (0.42) HPGDTSHRKMT2AMEN1SMN1; SMN2
Iodide SCHEMBL5948720 0.78 KDM4E (0.44) HPGDTSHRKMT2AMEN1SMN1; SMN2
Iodide SCHEMBL5948723 0.78 KDM4E (0.44) HPGDTSHRKMT2AMEN1SMN1; SMN2
SCHEMBL8103388 0.71 MAPT (0.38) PHGDHHPGDTSHRKMT2AMEN1

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 PHGDH 1746/4885HPGD 173/4885TSHR 1953/4885
US-20020035123-A1 New substituted pyridine or piperidine compounds OPRD1, CNR1, HRH4 PHGDH 1548/4885HPGD 359/4885TSHR 3127/4885
US-20020040036-A1 New substituted pyridine or piperidine compounds CNR1, OPRD1, OPRK1 PHGDH 1393/4885HPGD 403/4885TSHR 3127/4885

“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.