SCHEMBL6096552

SCHEMBL6096552

O=C(c1cccc2[nH]ccc12)N1CCN(c2cc(Cl)sc2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
MAPT P10636 2/20 0.57
MAPK14 Q16539 2/20 0.56
RECQL P46063 1/20 0.56
GOT1 P17174 9/20 0.50
MGLL Q99685 2/20 0.49
CCR3 P51677 1/20 0.47
AVPR1A P37288 1/20 0.47
GFER P55789 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
Hydrochloric Acid SCHEMBL27554175 0.99 GAA (0.56) GAAMAPTMAPK14RECQLGOT1
SCHEMBL6097059 0.83 MAPK14 (0.57) GAAMAPTMAPK14RECQLGOT1
Hydrochloric Acid SCHEMBL27576776 0.82 MAPK14 (0.56) GAAMAPTMAPK14RECQLGOT1
SCHEMBL6098281 0.82 GAA (0.44) GAAMAPTRECQLAVPR1A
SCHEMBL5277129 0.82 MAPK14 (0.60) GAAMAPTMAPK14RECQLGOT1
SCHEMBL5925678 0.81 MAPK14 (0.51) GAAMAPTMAPK14RECQLGOT1
SCHEMBL6095064 0.77 GHSR (0.57) GAAMAPTMAPK14RECQLMGLL
SCHEMBL6098930 0.76 MAPK14 (0.56) GAAMAPTMAPK14RECQLMGLL
Hydrochloric Acid SCHEMBL27574062 0.76 GHSR (0.56) GAAMAPTMAPK14RECQLMGLL
SCHEMBL6095813 0.76 MAPK14 (0.57) GAAMAPTMAPK14RECQLGOT1

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 3 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

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 GAA 2544/4885MAPT 1280/4885MAPK14 4409/4885

“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.