SCHEMBL1077882

SCHEMBL1077882

Cc1nc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1Cl

nearest known ligand 0.98

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.98
HTR2C P28335 20/20 0.98
SLC6A4 P31645 17/20 0.98
HTR1A P08908 2/20 0.85
DRD2 P14416 2/20 0.85
HTR7 P34969 2/20 0.85
DRD3 P35462 2/20 0.85
HTR6 P50406 2/20 0.85
KCNH2 Q12809 1/20 0.85
DRD4 P21917 1/20 0.76

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 SCHEMBL2682239 0.99 HTR2A (1.00) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL1047990 0.95 HTR2A (0.88) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL1080293 0.94 HTR2A (1.00) HTR2AHTR2CSLC6A4HTR1ADRD2
Hydrochloric Acid SCHEMBL2682107 0.94 HTR2A (0.90) HTR2AHTR2CSLC6A4HTR1ADRD2
Hydrochloric Acid SCHEMBL2682390 0.93 HTR2A (1.00) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL1078966 0.93 HTR2A (1.00) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL1081153 0.93 HTR2A (0.98) HTR2AHTR2CSLC6A4HTR1ADRD2
Hydrochloric Acid SCHEMBL2683644 0.92 HTR2A (1.00) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL1081168 0.92 HTR2A (1.00) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL1077482 0.91 HTR2A (1.00) HTR2AHTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835436-B2 Arylpiperazine-containing imidazole 4-carboxamide derivatives and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2014-09-16 US claimed
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-05-10 US claimed
WO-2011005052-A2 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN GROSS CORPORATION (KR) 2011-01-13 WO claimed
US-8835436-B2 Arylpiperazine-containing imidazole 4-carboxamide derivatives and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2014-09-16 US disclosed
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-05-10 US disclosed
WO-2011005052-A2 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN GROSS CORPORATION (KR) 2011-01-13 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-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME HTR2C, HTR5A, HTR2A HTR2A 3/4885HTR2C 1/4885SLC6A4 35/4885

“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.