SCHEMBL10114034

SCHEMBL10114034

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2c3ccccc3nc3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
KDM4E B2RXH2 3/20 0.41
GLA P06280 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
SOAT1 P35610 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
GRIA2 P42262 1/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
ABL1 P00519 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
JAK1 P23458 1/20 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
SCHEMBL14424735 0.84 NPY5R (0.53) EPHX1KDM4EGLAPOLBSMN1; SMN2
SCHEMBL10133338 0.84 NPY5R (0.53) EPHX1KDM4EGLAPOLBSMN1; SMN2
SCHEMBL10114057 0.84 HTT (0.49) KDM4ESMN1; SMN2ALDH1A1GRIA2KMT2A
SCHEMBL10114697 0.82 MAPT (0.56) KDM4EGLASMN1; SMN2HPGDALDH1A1
SCHEMBL13204268 0.82 MAPT (0.56) KDM4EGLASMN1; SMN2HPGDALDH1A1
SCHEMBL10114863 0.79 ALDH1A1 (0.48) SMN1; SMN2HPGDALDH1A1GAAAAK1
SCHEMBL14424186 0.79 ALDH1A1 (0.48) SMN1; SMN2HPGDALDH1A1GAAAAK1
SCHEMBL10114032 0.78 EPHX2 (0.55) KDM4EPOLBSMN1; SMN2ABL1MITF
SCHEMBL10114056 0.78 MEN1 (0.50) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL13565916 0.78 NPY5R (0.44) POLBHPGDALDH1A1KMT2AMEN1

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 11 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-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-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
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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 (3 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R EPHX1 3609/4885KDM4E 1668/4885GLA 1573/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX1 3910/4885KDM4E 1627/4885GLA 1699/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX1 3699/4885KDM4E 1653/4885GLA 1621/4885

“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.