SCHEMBL6483247

SCHEMBL6483247

CSc1ccc(CC2=NCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
MAOA P21397 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NISCH Q9Y2I1 1/20 0.37

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
SCHEMBL6477196 0.77 SOS1 (0.37) NPC1RAB9A
SCHEMBL28001019 0.77 HTR1D (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL1429748 0.77 ALOX15 (0.46) SLC6A4SLC6A2SLC6A3KMT2ACYP3A4
SCHEMBL697719 0.76 TAAR1 (0.44) MEN1KMT2ACYP1A2ADRA2AADRA2B
SCHEMBL13026656 0.72 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL11479336 0.71 ALOX15 (0.53) SLC6A4SLC6A2SLC6A3KMT2ACYP3A4
SCHEMBL11471508 0.71 PTGIR (0.47) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL12438888 0.70 NOS3 (0.41) MEN1KMT2ARAB9A
SCHEMBL13114825 0.69 CHRNB4 (0.50) CYP1A2CYP2C19ADRA2AADRA2BADRA2C
SCHEMBL2986753 0.66 HSD17B10 (0.56) CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936632-B2 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2005-08-30 US disclosed
US-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2004-06-24 US disclosed
EP-1246825-B1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2003-12-17 EP disclosed
EP-1246825-A1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2002-10-09 EP disclosed
WO-2001051491-A1 FUSED PYRROLE COMPOUNDS, PHARMACEUTICAL AGENTS CONTAINING THE SAME, AND THE USE THEREOF MERCKLE GMBH (DE) 2001-07-19 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 (1 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-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof PTGS1, PTGS2, PTGER1 SLC6A4 3262/4885SLC6A2 4424/4885SLC6A3 4113/4885

“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.