SCHEMBL5404704

SCHEMBL5404704

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.49
CLEC4M Q9H2X3 1/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
DRD4 P21917 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR1D P28221 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KCNH2 Q12809 1/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5409892 0.85 ALDH1A1 (0.54) DYRK1ACLEC4MHTR2AHTR2CDRD4
SCHEMBL5421162 0.82 CLEC4M (0.66) DYRK1ACLEC4MHTR2AHTR2CDRD4
SCHEMBL5417964 0.80 CLEC4M (0.46) CLEC4MHTTKDM4EALDH1A1LMNA
SCHEMBL5414352 0.80 CLEC4M (0.46) CLEC4MHTTKDM4EALDH1A1LMNA
SCHEMBL5416790 0.80 NR4A2 (0.49) CLEC4MHTTKDM4EALDH1A1LMNA
SCHEMBL5414753 0.79 DYRK1A (0.58) DYRK1AHTR2AHTR2CDRD4SLC6A2
SCHEMBL5409978 0.77 PIM3 (0.60) CLEC4MHTTKDM4EALDH1A1LMNA
SCHEMBL5404115 0.76 ALDH1A1 (0.49) DYRK1ACLEC4MHTR2AHTR2CDRD4
SCHEMBL27469298 0.75 LMNA (0.43) KDM4EALDH1A1LMNAMAPTHSD17B10
SCHEMBL27641139 0.73 MAPT (0.39) KDM4EALDH1A1LMNAMAPT

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 DYRK1A 1613/4885CLEC4M 4350/4885HTR2A 32/4885

“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.