SCHEMBL3436299

SCHEMBL3436299

Cc1ccc(F)cc1N1CCN(CC(N)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TSHR P16473 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
HTT P42858 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
REV1 Q9UBZ9 1/20 0.47
ADAMTS5 Q9UNA0 3/20 0.47
ADAM17 P78536 1/20 0.45
MMP2 P08253 1/20 0.43
SCN9A Q15858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3436300 0.89 DRD2 (0.49) ALDH1A1TSHRMEN1KMT2ADRD2
SCHEMBL3436302 0.86 TSHR (0.66) ALDH1A1TSHRMEN1KMT2ADRD2
SCHEMBL3435658 0.84 GAA (0.48) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL3436490 0.83 ALDH1A1 (0.49) ALDH1A1TSHRMEN1KMT2ADRD2
SCHEMBL3436298 0.83 ALDH1A1 (0.64) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL3436289 0.82 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2ADRD2
SCHEMBL3435091 0.82 ALDH1A1 (0.57) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL3436304 0.81 POLB (0.48) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL3436288 0.80 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2ADRD2
SCHEMBL13999572 0.80 FFAR4 (0.52) ALDH1A1TSHRMEN1KMT2ADRD2

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 5 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-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
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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 867/4885MEN1 4778/4885

“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.