SCHEMBL3552347

SCHEMBL3552347

Cc1ccc(F)cc1N1CCN(CNO)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 2/20 0.47
ALDH1A1 P00352 3/20 0.45
TSHR P16473 3/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ADAMTS5 Q9UNA0 3/20 0.43
ADAM17 P78536 1/20 0.42
REV1 Q9UBZ9 1/20 0.41
MMP2 P08253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AVPR1A P37288 1/20 0.39

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
SCHEMBL3546173 0.88 DRD2 (0.51) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL3551183 0.85 ALDH1A1 (0.61) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL3551695 0.79 FFAR4 (0.48) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL3550856 0.78 HTR7 (0.51) DRD2DRD3HTTKMT2A
SCHEMBL3436299 0.77 ALDH1A1 (0.51) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL4687057 0.77 DRD2 (0.56) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL16387109 0.76 ALDH1A1 (0.62) DRD2DRD4DRD3ALDH1A1HTT
SCHEMBL3553897 0.76 IGF1R (0.53) DRD2DRD4ALDH1A1TSHRHTT
SCHEMBL23717773 0.76 ALDH1A1 (0.53) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL22400161 0.76 ALDH1A1 (0.49) DRD2DRD4DRD3ALDH1A1TSHR

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 DRD2 3571/4885DRD4 4535/4885DRD3 3387/4885

“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.