SCHEMBL6484479

SCHEMBL6484479

C=CN1CCC(C(=O)Cc2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 2/20 0.39
ALDH1A1 P00352 4/20 0.38
SIGMAR1 Q99720 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TACR3 P29371 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MGLL Q99685 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
SCHEMBL6477001 0.83 SIGMAR1 (0.41) ALDH1A1SIGMAR1POLBKDM4EMEN1
SCHEMBL1429478 0.80 KMT2A (0.43) ALDH1A1SIGMAR1KDM4EMEN1KMT2A
SCHEMBL20872459 0.80 MCL1 (0.44) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL6291385 0.76 FAAH (0.31) FAAH
SCHEMBL646545 0.75 ACHE (0.32)
SCHEMBL1840136 0.74 HSD11B1 (0.55) ALDH1A1SIGMAR1KMT2A
SCHEMBL9362516 0.74 HSD17B10 (0.37) FAAHMEN1KMT2A
SCHEMBL6484485 0.72 HRH3 (0.33) L3MBTL1ALDH1A1POLBKDM4EKMT2A
SCHEMBL13335790 0.71
SCHEMBL20872606 0.71 FAAH (0.30) FAAH

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 7 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
CN-1191254-C Fused pyrrole compounds, pharmaceutical composition containing the same, and the use thereof MARCKLE GMBH (DE) 2005-03-02 CN 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
CN-1418217-A Fused pyrrole compounds, pharmaceutical composition containing the same, and the use thereof MARCKLE GMBH (DE) 2003-05-14 CN 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 L3MBTL1 4757/4885FAAH 526/4885ALDH1A1 302/4885

“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.