SCHEMBL3435100

SCHEMBL3435100

Nc1ccccc1N1CCC(N2CCNC(=O)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
KEAP1 Q14145 1/20 0.43
ADRA2C P18825 1/20 0.41
OPRM1 P35372 7/20 0.40
OPRK1 P41145 7/20 0.40
OPRD1 P41143 4/20 0.40
OGFRL1 Q5TC84 4/20 0.40
GFER P55789 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
OPRL1 P41146 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
CDA P32320 1/20 0.33

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
SCHEMBL3436500 0.84 ADRB1 (0.48) MEN1KMT2AOPRM1OPRK1OPRD1
SCHEMBL13999693 0.82 KMT2A (0.47) MEN1USP2GAAKMT2AKEAP1
SCHEMBL3436148 0.80 KMT2A (0.44) KMT2AOPRM1OPRK1OPRD1OGFRL1
SCHEMBL3436003 0.80 KEAP1 (0.49) MEN1USP2GAAKMT2AKEAP1
SCHEMBL14334073 0.80 SCN2A (0.40) MEN1GAAKMT2AIRAK4
SCHEMBL14334495 0.80 GAA (0.53) MEN1USP2GAAKMT2AKEAP1
SCHEMBL10035915 0.78 ALDH1A1 (0.48) MEN1GAAKMT2AOPRM1OPRK1
SCHEMBL3436190 0.76 KEAP1 (0.51) MEN1USP2GAAKMT2AKEAP1
SCHEMBL14207191 0.75 KEAP1 (0.65) MEN1USP2GAAKMT2AKEAP1
SCHEMBL22151854 0.74 IRAK4 (0.45) KMT2AOPRM1OPRK1OPRD1OGFRL1

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 4 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

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 MEN1 4778/4885USP2 1496/4885GAA 3904/4885

“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.