SCHEMBL1077481

SCHEMBL1077481

Cc1cccc(N2CCN(CCNC(=O)c3nc(C)n(-c4ccc(F)cc4)c3C)CC2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 1.00
HTR2C P28335 20/20 1.00
SLC6A4 P31645 18/20 0.89
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL2681691 0.99 HTR2A (0.98) HTR2AHTR2CSLC6A4CYP2D6CYP2C9
SCHEMBL1079518 0.95 HTR2A (0.98) HTR2AHTR2CSLC6A4CYP2D6CYP2C9
SCHEMBL1077440 0.92 HTR2A (0.88) HTR2AHTR2CSLC6A4
SCHEMBL1078331 0.90 HTR2A (0.89) HTR2AHTR2CSLC6A4
SCHEMBL1077824 0.88 HTR2A (1.00) HTR2AHTR2CSLC6A4CYP2D6CYP2C9
SCHEMBL1082536 0.88 HTR2A (0.85) HTR2AHTR2CSLC6A4KCNH2
Hydrochloric Acid SCHEMBL2681919 0.88 HTR2A (0.98) HTR2AHTR2CSLC6A4CYP2D6CYP2C9
SCHEMBL1078529 0.86 HTR2A (0.98) HTR2AHTR2CSLC6A4KCNH2
SCHEMBL1079390 0.86 HTR2A (0.98) HTR2AHTR2CSLC6A4
SCHEMBL1078448 0.86 HTR2A (0.98) HTR2AHTR2CSLC6A4CYP2D6CYP2C9

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.