SCHEMBL3551183

SCHEMBL3551183

Cc1ccc(C)c(N2CCN(CNO)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
TSHR P16473 2/20 0.61
HTT P42858 2/20 0.61
DRD4 P21917 3/20 0.55
DRD2 P14416 2/20 0.55
DRD3 P35462 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TP53 P04637 3/20 0.52
LMNA P02545 3/20 0.51
SLC18A3 Q16572 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL3553897 0.88 IGF1R (0.53) ALDH1A1TSHRHTTDRD4DRD2
SCHEMBL3552347 0.85 DRD2 (0.47) ALDH1A1TSHRHTTDRD4DRD2
SCHEMBL3551695 0.81 FFAR4 (0.48) ALDH1A1TSHRHTTDRD4DRD2
SCHEMBL3550856 0.81 HTR7 (0.51) HTTDRD2DRD3KMT2ALMNA
SCHEMBL18181904 0.80 TSHR (0.63) ALDH1A1TSHRHTTDRD4DRD2
SCHEMBL11392447 0.77 MEN1 (0.67) ALDH1A1TSHRHTTDRD4DRD2
SCHEMBL8370595 0.76 MEN1 (0.62) ALDH1A1TSHRHTTDRD4DRD2
SCHEMBL21164677 0.76 TSHR (0.58) ALDH1A1TSHRHTTDRD4DRD2
SCHEMBL18177816 0.76 ALDH1A1 (0.58) ALDH1A1TSHRHTTDRD4DRD2
SCHEMBL3436302 0.76 TSHR (0.66) ALDH1A1TSHRHTTDRD4DRD2

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ALDH1A1 975/4885TSHR 867/4885HTT 4067/4885

“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.