SCHEMBL4929782

SCHEMBL4929782

COc1cc(F)ccc1[C@@H]1CCNC[C@@H]1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.44
CDK9 P50750 6/20 0.44
HTR2A P28223 3/20 0.42
HTR2C P28335 5/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
HRH1 P35367 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
CASP3 P42574 1/20 0.41
GSK3B P49841 1/20 0.41
CDK7 P50613 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL4929787 1.00 CCNT1 (0.44) CCNT1CDK9HTR2AHTR2CSLC6A2
SCHEMBL4929791 1.00 CCNT1 (0.44) CCNT1CDK9HTR2AHTR2CSLC6A2
SCHEMBL4890808 0.85 SLC6A2 (0.39) HTR2AHTR2CSLC6A2SLC6A4HRH1
SCHEMBL4883057 0.85 HTR6 (0.44) HTR2AHTR2CSLC6A2SLC6A4HRH1
SCHEMBL4883064 0.85 HTR6 (0.44) HTR2AHTR2CSLC6A2SLC6A4HRH1
SCHEMBL4890816 0.85 SLC6A2 (0.39) HTR2AHTR2CSLC6A2SLC6A4HRH1
SCHEMBL4890823 0.85 SLC6A2 (0.39) HTR2AHTR2CSLC6A2SLC6A4HRH1
SCHEMBL4883070 0.85 HTR6 (0.44) HTR2AHTR2CSLC6A2SLC6A4HRH1
SCHEMBL4726656 0.83 HTR2A (0.64) HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL4726674 0.83 HTR2A (0.64) HTR2AHTR2CSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 CCNT1 2749/4885CDK9 710/4885HTR2A 1682/4885

“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.