SCHEMBL3435658

SCHEMBL3435658

NC(=O)CN1CCN(c2cc(F)ccc2N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
SCN9A Q15858 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
KEAP1 Q14145 1/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
CYP2D6 P10635 1/20 0.40

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
SCHEMBL3435091 0.89 ALDH1A1 (0.57) GAACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL3436299 0.84 ALDH1A1 (0.51) GAACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL3435716 0.83 ALDH1A1 (0.50) GAACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL3435654 0.83 ALDH1A1 (0.50) GAAALDH1A1MAPTL3MBTL1HSP90AA1
SCHEMBL3435707 0.83 NR1H4 (0.52) ALDH1A1MAPTHSP90AA1HSP90AB1TSHR
SCHEMBL3436300 0.82 DRD2 (0.49) GAACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL2078557 0.80 MAPT (0.51) GAACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL3434270 0.80 GAA (0.46) GAAALDH1A1MAPTTSHRMEN1
SCHEMBL2077401 0.79 ADRA2C (0.53) GAAALDH1A1MAPTHSP90AA1HSP90AB1
SCHEMBL2079242 0.78 ALDH1A1 (0.39) GAACYP1A2CYP3A4CYP2C19CYP2C9

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 GAA 3904/4885CYP1A2 1955/4885CYP3A4 1991/4885

“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.