SCHEMBL6429157

SCHEMBL6429157

N#Cc1ccc(N2CCN(CC3CC3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.60
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.56
HRH3 Q9Y5N1 1/20 0.53
MEN1 O00255 3/20 0.49
POLB P06746 1/20 0.48
CHRNA10 Q9GZZ6 1/20 0.48
CHRNA9 Q9UGM1 1/20 0.48
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
HTR7 P34969 1/20 0.44

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
SCHEMBL22848102 0.94 SIGMAR1 (0.54) SIGMAR1KDM4ETP53HRH3MEN1
SCHEMBL22848101 0.92 SIGMAR1 (0.52) SIGMAR1KDM4ETP53HRH3MEN1
SCHEMBL22848081 0.92 SIGMAR1 (0.52) SIGMAR1KDM4ETP53HRH3MEN1
SCHEMBL22848077 0.92 SIGMAR1 (0.52) SIGMAR1KDM4ETP53HRH3MEN1
SCHEMBL2384959 0.80 KDM4E (0.80) KDM4ETP53HRH3POLBCHRNA10
SCHEMBL5356200 0.80 KDM4E (0.62) KDM4ETP53HRH3POLBCHRNA10
SCHEMBL1815889 0.78 DRD2 (0.49) SIGMAR1KDM4EDRD2DRD3
SCHEMBL22848357 0.78 DRD3 (0.49) MEN1DRD2DRD3
SCHEMBL12082219 0.78 MAPT (0.51) MEN1DRD2DRD3HTR7
SCHEMBL27160034 0.78 SLC6A2 (0.55) DRD2DRD3HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-10-06 US disclosed
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 US disclosed
WO-2005007625-A2 HETEROCYCLIC AMIDES WITH ANTI-TUBERCULOSIS ACTIVITY THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-01-27 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 (2 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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, NDUFS5 SIGMAR1 119/4885KDM4E 2025/4885TP53 4411/4885
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 SIGMAR1 114/4885KDM4E 1722/4885TP53 4087/4885

“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.