SCHEMBL6095813

SCHEMBL6095813

O=C(c1cccc2[nH]ccc12)N1CCN(c2cccs2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.57
GAA P10253 3/20 0.49
MAPT P10636 2/20 0.49
RECQL P46063 1/20 0.48
GFER P55789 1/20 0.47
MGLL Q99685 2/20 0.47
CCR5 P51681 1/20 0.44
GOT1 P17174 6/20 0.43
HCRTR2 O43614 1/20 0.43
CCR3 P51677 1/20 0.43
IDH1 O75874 1/20 0.42
TNFSF11 O14788 1/20 0.41
TNF P01375 1/20 0.41

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
SCHEMBL6097059 0.81 MAPK14 (0.57) MAPK14GAAMAPTRECQLGFER
SCHEMBL6096895 0.81 ALDH1A1 (0.47) GAAMAPTHCRTR2
SCHEMBL3210544 0.81 MAPK14 (0.65) MAPK14GAAMAPTRECQLGFER
Hydrochloric Acid SCHEMBL27576776 0.81 MAPK14 (0.56) MAPK14GAAMAPTRECQLGFER
SCHEMBL6096614 0.80 MAPK14 (0.56) MAPK14GAAMAPTRECQLGFER
SCHEMBL6094636 0.79 MAPK14 (0.60) MAPK14GAAMAPTRECQLMGLL
SCHEMBL6094630 0.79 MAPK14 (0.52) MAPK14GAAMAPTRECQLGFER
SCHEMBL23244192 0.78 MAPK14 (0.59) MAPK14GAAMAPTRECQLGFER
SCHEMBL29576070 0.78 MAPK14 (0.59) MAPK14GAAMAPTRECQLGFER
SCHEMBL2216397 0.78 MAPK14 (0.64) MAPK14GAAMAPTRECQLGFER

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 4409/4885GAA 2544/4885MAPT 1280/4885

“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.