SCHEMBL6098930

SCHEMBL6098930

O=C(c1ccc2[nH]ccc2c1)N1CCN(c2cc(Cl)sc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.56
MGLL Q99685 1/20 0.52
GPR183 P32249 1/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
RECQL P46063 1/20 0.49
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
FASN P49327 1/20 0.47
GHSR Q92847 2/20 0.47
CCR3 P51677 1/20 0.46
NUDT15 Q9NV35 1/20 0.46
OXTR P30559 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
SCHEMBL6095064 0.92 GHSR (0.57) MAPK14MGLLGAAMAPTRECQL
Hydrochloric Acid SCHEMBL27574062 0.91 GHSR (0.56) MAPK14MGLLGAAMAPTRECQL
SCHEMBL6094559 0.84 MAPK14 (0.56) MAPK14MGLLGPR183GAAMAPT
SCHEMBL6094722 0.82 MAPK14 (0.60) MAPK14MGLLGPR183DRD2DRD3
SCHEMBL6094856 0.81 MAPK14 (0.51) MAPK14MGLLGPR183MAPTDRD2
SCHEMBL8534513 0.77 MAPK14 (0.64) MAPK14MGLLGPR183DRD2DRD3
SCHEMBL22216445 0.77 MAPK14 (0.64) MAPK14MGLLGPR183MAPTDRD2
SCHEMBL30329646 0.77 MAPK14 (0.64) MAPK14MGLLGPR183MAPTDRD2
SCHEMBL30226931 0.77 MAPK14 (0.64) MAPK14MGLLGPR183DRD2DRD3
SCHEMBL6772464 0.77 POLB (0.47) GAAMAPTRECQL

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 4 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-20050096330-A1 N-(indolecarbonyl) piperazine derivatives BOETTCHER HENNING (DE) 2005-05-05 US disclosed
CN-1364157-A N-(indolcarbonyl) piperazin derivatives MERCK PATENT GMBH (DE) 2002-08-14 CN 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 4409/4885MGLL 2125/4885GPR183 485/4885

“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.