SCHEMBL5409892

SCHEMBL5409892

COC(=O)c1cccc2c(C#N)c[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 3/20 0.54
HSD17B10 Q99714 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NR4A2 P43354 4/20 0.54
DYRK1A Q13627 3/20 0.53
PIM1 P11309 1/20 0.50
PIM3 Q86V86 1/20 0.50
CREBBP Q92793 1/20 0.47
CLEC4M Q9H2X3 1/20 0.46
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
DRD4 P21917 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR1D P28221 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL5421162 0.85 CLEC4M (0.66) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5404704 0.85 DYRK1A (0.49) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL9936453 0.83 NR4A2 (0.65) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5414753 0.82 DYRK1A (0.58) ALDH1A1KDM4EMAPTHPGDHTT
SCHEMBL13130748 0.80 HTT (0.64) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5404115 0.79 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAL3MBTL1DYRK1A
SCHEMBL17798752 0.79 NR4A2 (0.68) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5417665 0.78 NR4A2 (0.68) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL1271502 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL5419776 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312342-B2 Process for the preparation of (3-cyano-1h-indol-7-yl) (4-(4-fluorophenethyl) piperazin-1-yl)-methanone and salts thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2007-12-25 US claimed
US-7312342-B2 Process for the preparation of (3-cyano-1h-indol-7-yl) (4-(4-fluorophenethyl) piperazin-1-yl)-methanone and salts thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2007-12-25 US disclosed
CN-1213029-C Process for the preparation of (3-cyano-1H-indol-7-yl) (4-(4-fluorophenethyl)piperazin-1-yl)-methanone and salts thereof MERCH PATENT GMBH (DE) 2005-08-03 CN disclosed
EP-1353906-B1 PROCESS FOR THE PREPARATION OF (3-CYANO-1H-INDOL-7-YL)(4-(4-FLUOROPHENETHYL)PIPERAZIN-1-YL)-METHANONE AND SALTS THEREOF MERCK PATENT GMBH (DE) 2004-06-23 EP disclosed
CN-1487923-A Process for the preparation of (3-cyano-1H-indol-7-yl) (4- (4-fluorophenethyl) piperazin-1-yl) -methanone and salts thereof Ĭ��ר���ɷ����޹�˾ 2004-04-07 CN disclosed
US-20040063723-A1 Process for the preparation of (3-cyano-1h-indol-7-yl) (4-(4-fluorophenethyl) piperazin-1-yl)- methanone and salts thereof MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
EP-1353906-A1 PROCESS FOR THE PREPARATION OF (3-CYANO-1H-INDOL-7-YL)(4-(4-FLUOROPHENETHYL)PIPERAZIN-1-YL)-METHANONE AND SALTS THEREOF MERCK PATENT GmbH (DE) 2003-10-22 EP disclosed
WO-2002059092-A1 PROCESS FOR THE PREPARATION OF (3-CYANO-1H-INDOL-7-YL)(4-(4-FLUOROPHENETHYL)PIPERAZIN-1-YL)-METHANONE AND SALTS THEREOF MERCK PATENT GMBH (DE) 2002-08-01 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-20040063723-A1 Process for the preparation of (3-cyano-1h-indol-7-yl) (4-(4-fluorophenethyl) piperazin-1-yl)- methanone and salts thereof TPH1, TPH2, IDO1 ALDH1A1 122/4885KDM4E 226/4885HSD17B10 413/4885

“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.