SCHEMBL11936079

SCHEMBL11936079

Cc1c(N2C[C@@H](C)O[C@@H](C)C2)ccc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)c1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
BRD4 O60885 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
KMT2A Q03164 1/20 0.33
PPARA Q07869 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
MAPT P10636 1/20 0.32
HSD11B1 P28845 2/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADRB3 P13945 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL11940826 1.00 KDM4E (0.36) KDM4ELMNABRD4TRPV1KMT2A
SCHEMBL13565318 0.92 KDM4E (0.37) KDM4ELMNABRD4TRPV1KMT2A
SCHEMBL13565266 0.91 KDM4E (0.40) KDM4ELMNABRD4TRPV1KMT2A
SCHEMBL13564991 0.91 KDM4E (0.40) KDM4ELMNABRD4TRPV1KMT2A
SCHEMBL13566018 0.91 KDM4E (0.40) KDM4ELMNABRD4TRPV1KMT2A
SCHEMBL13565945 0.89 KDM4E (0.35) KDM4ELMNABRD4TRPV1KMT2A
SCHEMBL17090470 0.89 KDM4E (0.35) KDM4ELMNABRD4TRPV1KMT2A
SCHEMBL13565254 0.87 KDM4E (0.36) KDM4ELMNABRD4TRPV1KMT2A
SCHEMBL17090455 0.87 KDM4E (0.36) KDM4ELMNABRD4TRPV1KMT2A
SCHEMBL13565374 0.86 KMT2A (0.38) KDM4ELMNABRD4TRPV1KMT2A

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 6 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-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 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 (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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R KDM4E 1765/4885LMNA 3149/4885BRD4 1136/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R KDM4E 1334/4885LMNA 3184/4885BRD4 1431/4885

“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.