SCHEMBL3436768

SCHEMBL3436768

COC(=O)C1(O)CCN(c2ncccc2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.48
MALT1 Q9UDY8 5/20 0.46
HSD11B1 P28845 1/20 0.44
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
TGM3 Q08188 1/20 0.43
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AVPR1A P37288 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
SCHEMBL10278274 0.95 TRPV1 (0.45) TRPV1MALT1HSD11B1F13A1TGM2
SCHEMBL4874028 0.87 MALT1 (0.53) TRPV1MALT1
SCHEMBL27684336 0.87 MALT1 (0.47) TRPV1MALT1CYP3A4CYP2D6TSHR
SCHEMBL10278269 0.86 GRIN2D (0.42) MALT1HSD11B1CYP3A4CYP2D6TSHR
SCHEMBL3436522 0.84 TRPV1 (0.47) TRPV1MALT1HSD11B1F13A1TGM2
SCHEMBL3435616 0.82 CYP1A2 (0.59) HSD11B1CYP2C19
SCHEMBL10276904 0.82 L3MBTL1 (0.41) MALT1HSD11B1CYP3A4CYP2D6TSHR
SCHEMBL3436585 0.81 TRPV1 (0.45) TRPV1MALT1HSD11B1F13A1TGM2
SCHEMBL3436533 0.79 TRPV1 (0.46) TRPV1MALT1HSD11B1F13A1TGM2
SCHEMBL3954751 0.79 GRIN2D (0.40) MALT1HSD11B1CYP3A4CYP2D6TSHR

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 TRPV1 3/4885MALT1 1638/4885HSD11B1 3972/4885

“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.