SCHEMBL2322306

SCHEMBL2322306

O=C(CN1CCN2C(=O)CCC2C1)Nc1cc(Br)ccn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.42
DYRK1A Q13627 4/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
RIOK2 Q9BVS4 1/20 0.40
POLB P06746 2/20 0.39
TSHR P16473 2/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.37
EPHX2 P34913 1/20 0.37
CCR3 P51677 2/20 0.36
WNT1 P04628 3/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL2318020 0.85 TSHR (0.56) CDK5CDK5R1KMT2AMEN1POLB
SCHEMBL2317358 0.84 NPY5R (0.49) GSK3BDYRK1AWNT1
SCHEMBL2317308 0.80 DYRK1A (0.42) DYRK1ACDK5CDK5R1KMT2AMEN1
SCHEMBL2315654 0.77 NPY5R (0.61) GSK3BDYRK1AWNT1
SCHEMBL25131042 0.76 KDM4E (0.56) GSK3BDYRK1APOLBALDH1A1WNT1
SCHEMBL2418168 0.75 POLB (0.45) KMT2AMEN1HTTRIOK2POLB
SCHEMBL25131750 0.75 POLB (0.45) GSK3BDYRK1ACDK5CDK5R1KMT2A
SCHEMBL2418162 0.75 POLB (0.45) KMT2AMEN1HTTRIOK2POLB
SCHEMBL27007142 0.74 ALDH1A1 (0.54) KMT2AMEN1HTTRIOK2POLB
SCHEMBL2320292 0.74 ALDH1A1 (0.51) KMT2AHTTRIOK2POLBTSHR

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-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
EP-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 WO 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-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R GSK3B 2646/4885DYRK1A 1159/4885CDK5 1000/4885

“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.