SCHEMBL6095091

SCHEMBL6095091

O=C(c1cccc2cc[nH]c12)N1CCN(c2ccc(Cl)s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
KEAP1 Q14145 1/20 0.44
PDPK1 O15530 1/20 0.43
MAPT P10636 4/20 0.42
SLC6A7 Q99884 1/20 0.41
P2RX7 Q99572 1/20 0.41
GAA P10253 3/20 0.40
GRM5 P41594 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37

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 SCHEMBL27574060 0.99 HCRTR1 (0.45) HCRTR1HCRTR2KEAP1PDPK1MAPT
SCHEMBL6098281 0.83 GAA (0.44) HCRTR1HCRTR2KEAP1PDPK1MAPT
SCHEMBL6097059 0.82 MAPK14 (0.57) MAPTSLC6A7GAAHTTMAPK14
SCHEMBL6096895 0.81 ALDH1A1 (0.47) HCRTR1HCRTR2KEAP1PDPK1MAPT
Hydrochloric Acid SCHEMBL27576776 0.81 MAPK14 (0.56) MAPTSLC6A7GAAHTTMAPK14
SCHEMBL5273574 0.80 MAPK14 (0.41) HCRTR1HCRTR2KEAP1PDPK1GAA
SCHEMBL5273569 0.80 HCRTR1 (0.40) HCRTR1HCRTR2KEAP1PDPK1MAPT
SCHEMBL8295958 0.78 ALDH1A1 (0.64) HCRTR1HCRTR2KEAP1PDPK1MAPT
SCHEMBL9433364 0.77 AVPR1A (0.50) HCRTR1HCRTR2KEAP1PDPK1MAPT
SCHEMBL6094555 0.77 HSP90AA1 (0.45) MAPTSLC6A7GAAALDH1A1SMN1; 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 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 HCRTR1 15/4885HCRTR2 8/4885KEAP1 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.