SCHEMBL3552058

SCHEMBL3552058

Cc1cccnc1N1CCC(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 3/20 0.54
TSHR P16473 2/20 0.54
PKM P14618 1/20 0.54
HSD11B1 P28845 1/20 0.50
HTT P42858 4/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TRPV1 Q8NER1 1/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MALT1 Q9UDY8 1/20 0.45
GRM4 Q14833 1/20 0.44
LCK P06239 1/20 0.43
PDE10A Q9Y233 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
SCHEMBL17206944 0.86 HSD11B1 (0.50) KMT2AHSD11B1TRPV1MALT1GRM4
SCHEMBL3436511 0.85 SMO (0.53) KMT2AHSD11B1SMN1; SMN2TRPV1ALDH1A1
SCHEMBL3436628 0.85 HSD11B1 (0.49) KMT2AHSD11B1TRPV1ALDH1A1MALT1
SCHEMBL2804196 0.85 HSD11B1 (0.49) KMT2AHSD11B1TRPV1MALT1
SCHEMBL20244837 0.82 HSD11B1 (0.46) KMT2AHSD11B1TRPV1NPSR1MALT1
SCHEMBL24126285 0.82 HSD11B1 (0.47) KMT2AHSD11B1TRPV1MALT1GRM4
SCHEMBL15966094 0.82 HSD11B1 (0.55) HSD11B1TRPV1
SCHEMBL18228586 0.82 HSD11B1 (0.55) TSHRHSD11B1SMN1; SMN2TRPV1MAPT
SCHEMBL11962834 0.82 HSD11B1 (0.55) TSHRHSD11B1SMN1; SMN2TRPV1MAPT
SCHEMBL6219881 0.81 KMT2A (0.60) KMT2AMEN1TSHRPKMHSD11B1

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 3 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
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 KMT2A 1707/4885MEN1 4778/4885TSHR 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.