SCHEMBL4061174

SCHEMBL4061174

CCOc1ccc2nc(N3CCNCC3)sc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.77
TP53 P04637 9/20 0.77
NPC1 O15118 6/20 0.77
RAB9A P51151 5/20 0.77
KMT2A Q03164 4/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
CYP3A4 P08684 2/20 0.77
MEN1 O00255 2/20 0.77
CYP1A2 P05177 1/20 0.77
CYP2D6 P10635 1/20 0.77
CYP2C9 P11712 1/20 0.77
NFKB1 P19838 1/20 0.77
CYP2C19 P33261 1/20 0.77
NFKB2 Q00653 1/20 0.77
RELA Q04206 1/20 0.77
SCN4A P35499 2/20 0.67
SCN9A Q15858 2/20 0.67
LMNA P02545 7/20 0.58
PKM P14618 1/20 0.56
OPRK1 P41145 1/20 0.56

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
SCHEMBL2708042 0.86 SCN4A (0.71) MAPTTP53NPC1RAB9AKMT2A
SCHEMBL2709101 0.82 SCN4A (0.67) MAPTTP53NPC1RAB9AKMT2A
SCHEMBL8516006 0.80 SCN4A (1.00) MAPTTP53NPC1RAB9AKMT2A
SCHEMBL3232592 0.79 SCN4A (0.61) MAPTTP53NPC1RAB9AKMT2A
SCHEMBL30101615 0.78 PCSK9 (0.63) MAPTTP53NPC1RAB9AKMT2A
SCHEMBL27515291 0.76 SCN4A (0.68) MAPTTP53NPC1RAB9AKMT2A
SCHEMBL2710695 0.76 NPC1 (0.76) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL13279558 0.76 AR (0.70) MAPTTP53NPC1RAB9AKMT2A
SCHEMBL31349392 0.76 NPC1 (0.70) MAPTTP53NPC1RAB9AKMT2A
SCHEMBL1981263 0.76 RAB9A (0.76) MAPTNPC1RAB9ASMN1; SMN2SCN4A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828154-B1 PHENYL-PIPERAZIN METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-29 EP disclosed
US-7429585-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE (US) 2008-09-30 US disclosed
US-7429585-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE (US) 2008-09-30 US disclosed
US-7429585-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE (US) 2008-09-30 US disclosed
US-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups JOLIDON SYNESE 2007-09-20 US disclosed
US-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups JOLIDON SYNESE 2007-09-20 US disclosed
US-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups JOLIDON SYNESE 2007-09-20 US disclosed
EP-1828154-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 US disclosed
WO-2006061135-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 WO disclosed
WO-2006061135-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 WO 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-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups GRIK5, GRM5, GRIN2C MAPT 975/4885TP53 4469/4885NPC1 990/4885
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HTR5A, NPY5R, GRM5 MAPT 1153/4885TP53 4429/4885NPC1 1697/4885

“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.