SCHEMBL6098281

SCHEMBL6098281

O=C(c1cccc2cc[nH]c12)N1CCN(c2cc(Cl)sc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
KEAP1 Q14145 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
P2RX7 Q99572 1/20 0.42
PDPK1 O15530 1/20 0.42
GRM5 P41594 1/20 0.41
USP2 O75604 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 3/20 0.40
AVPR1A P37288 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6095091 0.83 HCRTR1 (0.45) GAAMAPTKEAP1HCRTR1HCRTR2
SCHEMBL9433364 0.83 AVPR1A (0.50) GAAMAPTKEAP1HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL27574060 0.82 HCRTR1 (0.45) GAAMAPTKEAP1HCRTR1HCRTR2
SCHEMBL6096552 0.82 GAA (0.57) GAAMAPTRECQLAVPR1A
SCHEMBL6098564 0.82 HTR2A (0.43) KEAP1PDPK1GRM5HRH4
SCHEMBL6098559 0.81 HCRTR1 (0.39) KEAP1HCRTR1HCRTR2P2RX7PDPK1
Hydrochloric Acid SCHEMBL27554175 0.81 GAA (0.56) GAAMAPTRECQLAVPR1A
SCHEMBL6330018 0.78 HSP90AA1 (0.47) GAAMAPTUSP2RECQLALDH1A1
SCHEMBL8295958 0.77 ALDH1A1 (0.64) MAPTKEAP1HCRTR1HCRTR2PDPK1
SCHEMBL6095064 0.77 GHSR (0.57) GAAMAPTRECQLALDH1A1SMN1; SMN2

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 GAA 2544/4885MAPT 1280/4885KEAP1 2710/4885

“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.