SCHEMBL3436626

SCHEMBL3436626

Cc1cccnc1N1CCNC(=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
PARP1 P09874 3/20 0.47
TNK2 Q07912 1/20 0.47
TNK1 Q13470 1/20 0.47
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
AVPR1A P37288 1/20 0.45
TRPV1 Q8NER1 1/20 0.43
LMNA P02545 1/20 0.43
EPHX2 P34913 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
SCHEMBL10094631 0.87 HSD11B1 (0.46) HSD11B1PIK3CAMTORAVPR1ATRPV1
SCHEMBL1370146 0.83 LMNA (0.59) HSD11B1PARP1TNK2TNK1TRPV1
SCHEMBL3435691 0.82 GRIN2D (0.54) PIK3CAMTORTRPV1LMNAEPHX2
SCHEMBL615931 0.81 EPHX2 (0.59) HSD11B1EPHX2
Hydrochloric Acid SCHEMBL23124285 0.80 EPHX2 (0.58) HSD11B1EPHX2
Hydrochloric Acid SCHEMBL20339507 0.80 EPHX2 (0.58) HSD11B1EPHX2
Hydrochloric Acid SCHEMBL10317373 0.80 EPHX2 (0.58) HSD11B1EPHX2
SCHEMBL3434185 0.78 LMNA (0.73) HSD11B1LMNA
SCHEMBL3436625 0.77 ADRB1 (0.62) AVPR1ALMNA
SCHEMBL14818765 0.76 EPHX2 (0.54) HSD11B1EPHX2

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 HSD11B1 3972/4885PARP1 3052/4885TNK2 752/4885

“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.