SCHEMBL3436353

SCHEMBL3436353

COC(=O)C1CN(c2ccccc2C)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AR P10275 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
AKR1C3 P42330 1/20 0.42
LMNA P02545 1/20 0.41
ADRB1 P08588 1/20 0.41

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
SCHEMBL9684198 0.88 ALDH1A1 (0.50) ALDH1A1TSHRMAPTSMN1; SMN2MEN1
SCHEMBL12728148 0.84 AKR1C3 (0.42) ALDH1A1HTTTSHRMAPTHPGD
SCHEMBL3435988 0.83 MEN1 (0.45) ALDH1A1MAPTHPGDSMN1; SMN2MEN1
SCHEMBL29138516 0.83 DRD2 (0.49) ALDH1A1HTTTSHRMAPTHPGD
SCHEMBL3436354 0.81 MAPT (0.60) ALDH1A1TSHRMAPTHPGDSMN1; SMN2
SCHEMBL28217779 0.80 TSHR (0.49) ALDH1A1TSHRMAPTHPGDSMN1; SMN2
SCHEMBL18580808 0.79 JAK2 (0.38) ALDH1A1HTTTSHRMAPTSMN1; SMN2
SCHEMBL25603132 0.78 NOTUM (0.53) ALDH1A1HTTTSHRMAPTHPGD
SCHEMBL3435051 0.78 MAPT (0.54) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL12706835 0.78 MAPT (0.72) ALDH1A1MAPTMEN1KMT2A

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 975/4885HTT 4067/4885TSHR 867/4885

“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.