SCHEMBL6027090

SCHEMBL6027090

CCOC(=O)C1=C(COCCN(C)C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.51
ADRA2A P08913 2/20 0.51
CHRM1 P11229 2/20 0.51
DRD1 P21728 2/20 0.51
TBXA2R P21731 2/20 0.51
SLC6A2 P23975 2/20 0.51
ADRA1A P35348 2/20 0.51
OPRM1 P35372 2/20 0.51
DRD3 P35462 2/20 0.51
SLC6A3 Q01959 2/20 0.51
KCNH2 Q12809 2/20 0.51
KCNK2 O95069 1/20 0.51
ABCB11 O95342 1/20 0.51
ADRB2 P07550 1/20 0.51
ABCB1 P08183 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADRB3 P13945 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2C P18825 1/20 0.51
HRH2 P25021 1/20 0.51

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
SCHEMBL5810972 0.91 HTR1A (0.63) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL5810980 0.91 HTR1A (0.63) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL5815722 0.91 HTR1A (0.63) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL6028346 0.91 HTR1A (0.63) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL5821866 0.91 HTR1A (0.54) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL6028859 0.89 HTR1A (0.53) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL5822720 0.88 HTR1A (0.53) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL5810313 0.87 NPSR1 (0.50) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL5823694 0.87 HTR1A (0.52) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL5809327 0.86 HTR1A (0.49) HTR1AADRA2ACHRM1DRD1TBXA2R

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-1663227-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS Synta Pharmaceuticals Corporation (US) 2006-06-07 EP claimed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 US claimed
WO-2005025507-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS SYNTA PHAMACEUTICALS CORP. (US) 2005-03-24 WO claimed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 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-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SLC5A2, SLC5A1, QDPR HTR1A 1730/4885ADRA2A 321/4885CHRM1 339/4885

“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.