SCHEMBL11935969

SCHEMBL11935969

CC(C)(C)S(=O)(=O)Nc1ccc(CNC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
NR3C2 P08235 1/20 0.34
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GHSR Q92847 1/20 0.33
PTPN11 Q06124 1/20 0.33

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
SCHEMBL13105782 0.82 MEN1 (0.39) MEN1KMT2AATMBCHEACHE
SCHEMBL11935310 0.76 MEN1 (0.44) MEN1KMT2AOPRM1OPRK1TRPV1
SCHEMBL10116344 0.75 KMT2A (0.60) MEN1KMT2AMAPTLMNA
SCHEMBL13564999 0.75 CA1 (0.50) MEN1KMT2AHTTPTPN11
SCHEMBL13566079 0.74 FUCA1 (0.40) TRPV1EPHX2NR1H4KDM4EALDH1A1
SCHEMBL13565011 0.74 CA1 (0.53) MEN1KMT2ATRPV1MAPTKDM4E
SCHEMBL11935325 0.73 HRH3 (0.54) OPRM1OPRK1KDM4EALDH1A1
SCHEMBL20601935 0.73 MEN1 (0.56) MEN1KMT2AATMBCHEACHE
SCHEMBL11935985 0.72 LTA4H (0.42) MEN1KMT2AOPRM1OPRK1TRPV1
SCHEMBL11935328 0.71 FFAR1 (0.55) MEN1KMT2AHTTGHSR

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 12 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-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 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-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 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-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (4 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 MEN1 1550/4885KMT2A 2031/4885ATM 4643/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MEN1 2486/4885KMT2A 2321/4885ATM 4463/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MEN1 1233/4885KMT2A 2517/4885ATM 4455/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MEN1 2254/4885KMT2A 2200/4885ATM 4404/4885

“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.