SCHEMBL6094555

SCHEMBL6094555

Cc1[nH]c2c(C(=O)N3CCN(c4ccc(Cl)s4)CC3)cccc2c1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
GAA P10253 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 4/20 0.39
SLC6A7 Q99884 1/20 0.39
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
GBA1 P04062 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL6330018 0.84 HSP90AA1 (0.47) HSP90AA1GAAKDM4EMAPTALDH1A1
SCHEMBL6325057 0.83 HSP90AA1 (0.42) HSP90AA1GAAKDM4EMAPTALDH1A1
SCHEMBL6096013 0.82 PARP1 (0.41) HSP90AA1GAAKDM4EMAPTALDH1A1
SCHEMBL6096015 0.81 HTR2A (0.41) HSP90AA1GAAKDM4EMAPTALDH1A1
SCHEMBL6330373 0.77 HSP90AA1 (0.46) HSP90AA1GAAKDM4EMAPTALDH1A1
SCHEMBL6095091 0.77 HCRTR1 (0.45) GAAKDM4EMAPTALDH1A1SLC6A7
SCHEMBL6096836 0.76 HTR2A (0.55) GAAMAPTALDH1A1SLC6A7
SCHEMBL6093813 0.76 HTR2A (0.43) HSP90AA1GAAKDM4EMAPTALDH1A1
SCHEMBL6093812 0.76 PARP1 (0.39) HSP90AA1GAAKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL27574060 0.76 HCRTR1 (0.45) GAAKDM4EMAPTALDH1A1SLC6A7

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 HSP90AA1 2073/4885GAA 2544/4885KDM4E 4026/4885

“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.