SCHEMBL3436561

SCHEMBL3436561

CC(=O)OC1(O)CCCN(c2ncccc2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
HSD11B1 P28845 1/20 0.41
MALT1 Q9UDY8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
LCAT P04180 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
TGM3 Q08188 1/20 0.38
KIF18A Q8NI77 3/20 0.38
AVPR1A P37288 1/20 0.37
DRD4 P21917 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL3436533 0.95 TRPV1 (0.46) TRPV1HSD11B1MALT1LCATKMT2A
SCHEMBL3435676 0.87 GRIN2D (0.39) HSD11B1MALT1L3MBTL1MEN1CYP1A2
SCHEMBL3436016 0.81 GRIN2D (0.42) HSD11B1MALT1L3MBTL1MEN1CYP3A4
SCHEMBL27684335 0.81 MALT1 (0.41) TRPV1MALT1L3MBTL1MEN1CYP3A4
SCHEMBL3436585 0.79 TRPV1 (0.45) TRPV1HSD11B1MALT1LCATKMT2A
SCHEMBL10278274 0.79 TRPV1 (0.45) TRPV1HSD11B1MALT1L3MBTL1CYP1A2
SCHEMBL13999799 0.75 HSD11B1 (0.41) TRPV1HSD11B1MALT1LCATCYP1A2
SCHEMBL3436768 0.75 TRPV1 (0.48) TRPV1HSD11B1MALT1CYP3A4CYP2C19
SCHEMBL3436522 0.75 TRPV1 (0.47) TRPV1HSD11B1MALT1LCATKMT2A
SCHEMBL15966094 0.74 HSD11B1 (0.55) TRPV1HSD11B1CYP1A2CYP2C9CYP2C19

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

“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.