SCHEMBL2216657

SCHEMBL2216657

Cc1cccc(N2CCN(CCCNC(=O)c3cc(-c4ccccc4)n(C)c3C)CC2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 1.00
HTR2C P28335 20/20 1.00
SLC6A4 P31645 20/20 1.00
HTR1A P08908 1/20 0.77
CYP2C9 P11712 1/20 0.77
DRD2 P14416 1/20 0.77
DRD4 P21917 1/20 0.77
HTR7 P34969 1/20 0.77
DRD3 P35462 1/20 0.77
HTR6 P50406 1/20 0.77
KCNH2 Q12809 1/20 0.77

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
SCHEMBL12441228 0.97 HTR2A (1.00) HTR2AHTR2CSLC6A4HTR1ACYP2C9
Hydrochloric Acid SCHEMBL2216840 0.96 HTR2A (0.98) HTR2AHTR2CSLC6A4HTR1ACYP2C9
SCHEMBL12441274 0.92 HTR2A (1.00) HTR2AHTR2CSLC6A4HTR1ACYP2C9
SCHEMBL12514243 0.92 HTR2A (0.85) HTR2AHTR2CSLC6A4HTR1ACYP2C9
Hydrochloric Acid SCHEMBL2216009 0.91 HTR2A (1.00) HTR2AHTR2CSLC6A4HTR1ACYP2C9
SCHEMBL2214006 0.91 HTR2A (0.90) HTR2AHTR2CSLC6A4HTR1ACYP2C9
SCHEMBL2214887 0.90 HTR2A (1.00) HTR2AHTR2CSLC6A4HTR1ADRD2
Hydrochloric Acid SCHEMBL2215229 0.89 HTR2A (0.98) HTR2AHTR2CSLC6A4
SCHEMBL2214787 0.89 HTR2A (1.00) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL2214645 0.89 HTR2A (1.00) HTR2AHTR2CSLC6A4HTR1ADRD2

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 9 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 claimed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 US claimed
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.