SCHEMBL6096558

SCHEMBL6096558

O=C(c1ccc2[nH]ccc2c1)N1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.63
DRD2 P14416 1/20 0.58
DRD3 P35462 1/20 0.58
HRH4 Q9H3N8 1/20 0.50
PRKAA2 P54646 1/20 0.50
HTR2A P28223 3/20 0.48
HTR2C P28335 3/20 0.48
HTR7 P34969 2/20 0.48
DRD4 P21917 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR1D P28221 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2B P41595 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
GPR183 P32249 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 1/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL5279234 0.92 MAPK14 (0.62) MAPK14DRD2DRD3HRH4PRKAA2
Hydrochloric Acid SCHEMBL27516130 0.91 MAPK14 (0.61) MAPK14DRD2DRD3HRH4PRKAA2
SCHEMBL6093708 0.89 MAPK14 (0.79) MAPK14DRD2DRD3HRH4SIGMAR1
SCHEMBL9592902 0.85 MAPK14 (0.59) MAPK14DRD2DRD3HRH4MEN1
SCHEMBL9589732 0.83 MAPK14 (0.56) MAPK14DRD2DRD3HRH4GPR183
SCHEMBL6094163 0.83 MAPK14 (0.61) MAPK14DRD2DRD3HRH4GPR183
SCHEMBL4500431 0.82 MAPK14 (0.49) MAPK14DRD2DRD3HRH4PRKAA2
SCHEMBL9513154 0.82 MEN1 (0.68) PRKAA2HTR2AHTR2CHTR7MEN1
SCHEMBL9732529 0.82 MAPK14 (0.57) MAPK14DRD2DRD3HRH4GPR183
SCHEMBL6772793 0.81 ACHE (0.54) PRKAA2HTR2AHTR2CHTR7DRD4

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-7084143-B2 N-(indolecarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2006-08-01 US claimed
US-6838461-B1 N-(indolcarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-04 US claimed
US-7084143-B2 N-(indolecarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2006-08-01 US disclosed
WO-2006034788-A1 COMBINATIONS OF N-(INDOLECARBONYL-)PIPERAZINE DERIVATIVES AND SEROTONIN REUPTAKE INHIBITORS MERCK PATENT GMBH (DE) 2006-04-06 WO disclosed
US-20050096330-A1 N-(indolecarbonyl) piperazine derivatives BOETTCHER HENNING (DE) 2005-05-05 US disclosed
US-6838461-B1 N-(indolcarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-01-04 US disclosed
EP-1198453-B9 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES MERCK PATENT GMBH (DE) 2004-11-10 EP disclosed
EP-1198453-B1 N-(INDOLCARBONYL-)PIPERAZIN DERIVATIVES MERCK PATENT GMBH (DE) 2003-04-09 EP 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-20050096330-A1 N-(indolecarbonyl) piperazine derivatives HTR2A, HTR2B, HTR2C MAPK14 4409/4885DRD2 33/4885DRD3 174/4885

“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.