SCHEMBL3435675

SCHEMBL3435675

CN1CCN(c2ccccc2N)CC1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.53
GAA P10253 3/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 2/20 0.46
KMT2A Q03164 2/20 0.46
KEAP1 Q14145 1/20 0.44
ATR Q13535 1/20 0.39
TRPC6 Q9Y210 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
HTR1A P08908 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HSP90AB1 P08238 1/20 0.33
NCF1 P14598 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 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
SCHEMBL3436285 0.84 ADRB1 (0.46) KMT2A
SCHEMBL15783901 0.81 ATR (0.51) ATRMAPT
SCHEMBL3539393 0.79 ATR (0.35) KMT2AATRTRPC6
SCHEMBL3435622 0.77 LMNA (0.50) MEN1KMT2AHTTHTR1AMAPT
SCHEMBL188391 0.76 MAPT (0.50) ADRA2CGAAMEN1USP2KMT2A
SCHEMBL16195952 0.76 MAPT (0.50) ADRA2CGAAMEN1USP2KMT2A
SCHEMBL16206951 0.76 MAPT (0.50) ADRA2CGAAMEN1USP2KMT2A
SCHEMBL23152040 0.71 ADRA2C (0.79) ADRA2CGAAMEN1USP2KMT2A
SCHEMBL11775877 0.71 ADRA2C (0.79) ADRA2CGAAMEN1USP2KMT2A
SCHEMBL30900298 0.70 TRPC6 (0.42) GAATRPC6

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 ADRA2C 161/4885GAA 3904/4885MEN1 4778/4885

“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.