SCHEMBL10134094

SCHEMBL10134094

CC1CN(c2cc(F)ccc2NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)CC(C)O1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MAPT P10636 2/20 0.41
GSK3B P49841 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GAK O14976 1/20 0.40
WDR5 P61964 2/20 0.37
NPY5R Q15761 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GRIA2 P42262 2/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 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
SCHEMBL13204297 1.00 TP53 (0.42) TP53MAPTGSK3BSMN1; SMN2GAK
SCHEMBL10114723 1.00 TP53 (0.42) TP53MAPTGSK3BSMN1; SMN2GAK
SCHEMBL10114704 0.88 MAPT (0.40) TP53MAPTGSK3BSMN1; SMN2GAK
SCHEMBL13204300 0.88 MAPT (0.40) TP53MAPTGSK3BSMN1; SMN2GAK
SCHEMBL10114346 0.88 NPY5R (0.46) TP53MAPTGSK3BSMN1; SMN2GAK
SCHEMBL10133395 0.88 NPY5R (0.46) TP53MAPTGSK3BSMN1; SMN2GAK
SCHEMBL13204144 0.88 NPY5R (0.46) TP53MAPTGSK3BSMN1; SMN2GAK
SCHEMBL14424254 0.88 NPY5R (0.46) TP53MAPTGSK3BSMN1; SMN2GAK
SCHEMBL14424112 0.86 MAPT (0.39) TP53MAPTGSK3BSMN1; SMN2GAK
SCHEMBL10133239 0.86 MAPT (0.39) TP53MAPTGSK3BSMN1; SMN2GAK

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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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 (2 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53 4417/4885MAPT 3367/4885GSK3B 2333/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53 4486/4885MAPT 3683/4885GSK3B 2284/4885

“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.