SCHEMBL6445604

SCHEMBL6445604

N#Cc1cccc(N2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.58
CHRM4 P08173 5/20 0.56
DRD2 P14416 3/20 0.55
DRD3 P35462 2/20 0.55
NOTUM Q6P988 1/20 0.54
CCR3 P51677 6/20 0.54
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
HTR2A P28223 1/20 0.50

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
SCHEMBL2776292 0.85 SLC6A2 (0.55) MGLLCHRM4CCR3SLC6A2SLC6A4
SCHEMBL6507154 0.82 DRD2 (0.59) CHRM4DRD2DRD3NOTUM
SCHEMBL7241082 0.81 SLC6A2 (0.71) MGLLCCR3SLC6A2SLC6A4
SCHEMBL6429226 0.80 SLC6A2 (0.56) CCR3SLC6A2SLC6A4
SCHEMBL6427438 0.78 DRD2 (0.64) CHRM4DRD2DRD3
SCHEMBL7508776 0.78 CCR3 (0.73) CCR3SLC6A2SLC6A4HTR2A
SCHEMBL15800697 0.77 DRD2 (0.79) DRD2DRD3NOTUM
SCHEMBL3051168 0.77 DRD2 (0.64) CHRM4DRD2DRD3NOTUM
SCHEMBL12367085 0.77 DRD2 (0.64) CHRM4DRD2DRD3NOTUM
SCHEMBL2732722 0.77 DRD2 (0.64) CHRM4DRD2DRD3NOTUM

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 MGLL 3757/4885CHRM4 1835/4885DRD2 944/4885
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 MGLL 4162/4885CHRM4 2329/4885DRD2 959/4885

“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.