SCHEMBL13438697

SCHEMBL13438697

N[C@H]1CC[C@H](CNc2nc(-c3cccc4ccccc34)cs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 6/20 0.51
CDK9 P50750 6/20 0.51
MAPT P10636 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HTR2C P28335 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
CCR4 P51679 1/20 0.38
NPY5R Q15761 2/20 0.38

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
SCHEMBL11934826 1.00 CCNK (0.51) CCNKCDK9MAPTMEN1KMT2A
SCHEMBL1915377 0.80 CCNK (0.54) CCNKCDK9KMT2AALDH1A1NPC1
SCHEMBL17090500 0.80 PTPN2 (0.41) CCNKCDK9MAPTMEN1KMT2A
SCHEMBL13565678 0.80 MEN1 (0.44) CCNKCDK9MAPTMEN1KMT2A
SCHEMBL13565601 0.80 PTPN2 (0.41) CCNKCDK9MAPTMEN1KMT2A
SCHEMBL13907118 0.80 CCNK (0.52) CCNKCDK9NPY5RAXLFLT3
SCHEMBL5131411 0.79 NPY5R (0.61) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL5131839 0.77 CCNK (0.50) CCNKCDK9MAPTMEN1KMT2A
SCHEMBL5119711 0.74 ALDH1A1 (0.57) CCNKCDK9MAPTMEN1KMT2A
SCHEMBL11934963 0.72 PTPN2 (0.51) MAPTMEN1KMT2AALDH1A1HTT

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 2 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-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 CCNK 4014/4885CDK9 3415/4885MAPT 3293/4885

“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.