SCHEMBL13438643

SCHEMBL13438643

Nc1cccc(NC[C@H]2CC[C@H](N)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DDX3X O00571 1/20 0.40
CRHR1 P34998 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
DDB1 Q16531 3/20 0.36
CRBN Q96SW2 3/20 0.36
POLB P06746 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
IDH1 O75874 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL11934757 1.00 PRKCQ (0.43) PRKCQKDM4EMEN1LMNAGAA
SCHEMBL12204104 0.86 MEN1 (0.44) KDM4EMEN1LMNAGAAMAPT
SCHEMBL29922690 0.85 APP (0.44) KDM4EMEN1LMNAGAAMAPT
SCHEMBL21799837 0.85 APP (0.44) KDM4EMEN1LMNAGAAMAPT
SCHEMBL13439105 0.84 POLB (0.54) PRKCQKDM4EGAACRHR1ALDH1A1
SCHEMBL11935235 0.84 CRHR1 (0.47) PRKCQKDM4EMEN1GAAKMT2A
SCHEMBL13462869 0.84 PRKCQ (0.42) PRKCQCRHR1POLBCARM1PRMT6
SCHEMBL13439216 0.84 PRKCQ (0.42) PRKCQCRHR1POLBCARM1PRMT6
SCHEMBL11935118 0.84 POLB (0.54) PRKCQKDM4EGAACRHR1ALDH1A1
SCHEMBL13438716 0.84 PRKCQ (0.42) PRKCQKMT2ACRHR1ALDH1A1POLB

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-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R PRKCQ 3402/4885KDM4E 1765/4885MEN1 1550/4885

“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.