SCHEMBL2215549

SCHEMBL2215549

Cc1c(C(=O)NCCCN2CCN(c3ccccn3)CC2)cc(-c2ccccc2)n1C

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.74
HTR2C P28335 17/20 0.74
SLC6A4 P31645 17/20 0.73
KCNH2 Q12809 3/20 0.67
HTR1A P08908 1/20 0.67
CYP2C9 P11712 1/20 0.67
DRD2 P14416 1/20 0.67
DRD4 P21917 1/20 0.67
HTR7 P34969 1/20 0.67
DRD3 P35462 1/20 0.67
HTR6 P50406 1/20 0.67

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
SCHEMBL12441392 0.86 HTR2A (0.98) HTR2AHTR2CSLC6A4KCNH2HTR1A
Hydrochloric Acid SCHEMBL2217436 0.85 HTR2A (1.00) HTR2AHTR2CSLC6A4KCNH2HTR1A
SCHEMBL2216027 0.84 HTR2A (1.00) HTR2AHTR2CSLC6A4KCNH2HTR1A
SCHEMBL2213700 0.84 HTR2A (0.74) HTR2AHTR2CSLC6A4KCNH2HTR1A
SCHEMBL2215411 0.82 HTR2A (1.00) HTR2AHTR2CSLC6A4KCNH2HTR1A
SCHEMBL2215942 0.82 HTR2A (0.80) HTR2AHTR2CSLC6A4KCNH2HTR1A
SCHEMBL2215254 0.82 HTR2A (0.83) HTR2AHTR2CSLC6A4KCNH2HTR1A
SCHEMBL2214764 0.82 HTR2A (1.00) HTR2AHTR2CSLC6A4KCNH2HTR1A
SCHEMBL2216657 0.81 HTR2A (1.00) HTR2AHTR2CSLC6A4KCNH2HTR1A
SCHEMBL2216330 0.81 HTR2A (1.00) HTR2AHTR2CSLC6A4KCNH2HTR1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
WO-2010038948-A2 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2010-04-08 WO 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-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS NPY5R, TPH2, MC5R HTR2A 18/4885HTR2C 10/4885SLC6A4 111/4885

“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.