SCHEMBL6428902

SCHEMBL6428902

NC(=O)c1cccc(N2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.66
DRD3 P35462 1/20 0.66
ITGB3 P05106 3/20 0.63
ITGA2B P08514 3/20 0.63
DRD4 P21917 2/20 0.62
OPRK1 P41145 1/20 0.59
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTR7 P34969 3/20 0.58
HTR1A P08908 1/20 0.58
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL4021071 0.90 DRD2 (0.68) DRD2DRD3ITGB3ITGA2BDRD4
SCHEMBL2323421 0.88 DRD2 (0.64) DRD2DRD3ITGB3ITGA2BDRD4
SCHEMBL2744427 0.86 HTR2A (0.69) ITGB3ITGA2BDRD4L3MBTL1HTR7
SCHEMBL6700094 0.85 ITGB3 (0.63) ITGB3ITGA2BDRD4HTR7HTR2A
Hydrochloric Acid SCHEMBL9742137 0.84 HTR2A (0.67) ITGB3ITGA2BDRD4L3MBTL1HTR7
SCHEMBL7388920 0.84 ALDH1A1 (0.65) DRD2DRD3DRD4MEN1LMNA
SCHEMBL6698553 0.84 FAAH (0.54) DRD2DRD3ITGB3ITGA2B
SCHEMBL6700100 0.83 ITGB3 (0.58) ITGB3ITGA2BDRD4OPRK1HTR7
SCHEMBL6707329 0.82 PRMT1 (0.67) DRD2DRD3DRD4MEN1LMNA
SCHEMBL31593043 0.82 CYP2D6 (0.69) DRD2DRD3ITGB3ITGA2BDRD4

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 2 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
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 (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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, NDUFS5 DRD2 944/4885DRD3 456/4885ITGB3 3162/4885

“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.