SCHEMBL4042718

SCHEMBL4042718

C[C@@H]1CNCc2cc3ccc(Cl)c(Cl)c3n21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.37
HTR2A P28223 8/20 0.37
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
HTR2B P41595 4/20 0.33
KCNH2 Q12809 1/20 0.32
ADRA2A P08913 1/20 0.30
PNMT P11086 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL4048146 1.00 HTR2C (0.37) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4041674 0.99 HTR2C (0.36) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4041669 0.99 HTR2C (0.36) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL4043439 0.87 HTR2C (0.39) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL4043058 0.87 HTR2A (0.33) HTR2CHTR2AHTR2B
SCHEMBL4043443 0.87 HTR2C (0.39) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL4043061 0.87 HTR2A (0.33) HTR2CHTR2AHTR2B
SCHEMBL4040347 0.86 HTR2A (0.35) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL4044867 0.86 HTR2A (0.35) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL4041086 0.78 HTR2A (0.32) HTR2CHTR2AHTR2BKCNH2

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP claimed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 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-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 HTR2C 158/4885HTR2A 140/4885SLC6A2 323/4885

“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.