SCHEMBL6096836

SCHEMBL6096836

N#Cc1c[nH]c2c(C(=O)N3CCN(c4ccc(Cl)s4)CC3)cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.55
HTR2C P28335 2/20 0.55
DRD4 P21917 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR1D P28221 1/20 0.55
SLC6A4 P31645 1/20 0.55
HTR7 P34969 1/20 0.55
HTR2B P41595 1/20 0.55
TMEM97 Q5BJF2 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
KCNH2 Q12809 1/20 0.51
DYRK1A Q13627 3/20 0.43
HRH3 Q9Y5N1 6/20 0.38
MAPT P10636 2/20 0.38
SLC6A7 Q99884 1/20 0.37
GFER P55789 1/20 0.36
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35

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 SCHEMBL27554167 0.99 HTR2A (0.54) HTR2AHTR2CDRD4SLC6A2HTR1D
SCHEMBL5280616 0.82 HTR2A (0.67) HTR2AHTR2CDRD4SLC6A2HTR1D
SCHEMBL5280612 0.82 HTR2A (0.51) HTR2AHTR2CDRD4SLC6A2HTR1D
SCHEMBL6095091 0.77 HCRTR1 (0.45) MAPTSLC6A7ALDH1A1HPGDTSHR
SCHEMBL6094555 0.76 HSP90AA1 (0.45) MAPTSLC6A7ALDH1A1GAA
Hydrochloric Acid SCHEMBL27574060 0.76 HCRTR1 (0.45) MAPTSLC6A7ALDH1A1HPGDTSHR
SCHEMBL6096357 0.76 GFER (0.65) MAPTGFERALDH1A1HTTLMNA
SCHEMBL6097059 0.75 MAPK14 (0.57) MAPTSLC6A7GFERMGLLHTT
Hydrochloric Acid SCHEMBL27576776 0.74 MAPK14 (0.56) MAPTSLC6A7GFERMGLLHTT
SCHEMBL5280317 0.73 HTR2A (0.84) HTR2AHTR2CDRD4SLC6A2HTR1D

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 5 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
CN-1319532-C Use of N- (indolylcarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2007-06-06 CN disclosed
US-20050096330-A1 N-(indolecarbonyl) piperazine derivatives BOETTCHER HENNING (DE) 2005-05-05 US disclosed
CN-1589147-A Use of N-(indolecarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-03-02 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 HTR2A 1/4885HTR2C 3/4885DRD4 122/4885

“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.