SCHEMBL10114542

SCHEMBL10114542

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
NPY5R Q15761 1/20 0.52
KMT2A Q03164 3/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX2 P34913 2/20 0.46
EPHX1 P07099 2/20 0.46
NAMPT P43490 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
ENPP3 O14638 3/20 0.45
ENPP1 P22413 3/20 0.45
ENPP2 Q13822 1/20 0.45

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
SCHEMBL14424762 1.00 LMNA (0.54) LMNANPY5RKMT2ANPC1RAB9A
SCHEMBL10114575 0.89 LMNA (0.60) LMNANPY5RKMT2AHPGDSMN1; SMN2
SCHEMBL14424621 0.89 LMNA (0.60) LMNANPY5RKMT2AHPGDSMN1; SMN2
SCHEMBL14424764 0.88 ALDH1A1 (0.54) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10114562 0.88 ALDH1A1 (0.54) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14627725 0.86 NPY5R (0.53) LMNANPY5RKMT2ARAB9ASMN1; SMN2
SCHEMBL12882794 0.86 NPY5R (0.53) LMNANPY5RKMT2ARAB9ASMN1; SMN2
SCHEMBL10114574 0.85 NPY5R (0.54) LMNANPY5RKMT2ARAB9ANAMPT
SCHEMBL14424619 0.85 NPY5R (0.54) LMNANPY5RKMT2ARAB9ANAMPT
SCHEMBL14424127 0.85 LMNA (0.54) LMNAKMT2ANPC1RAB9ACYP1A2

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 9 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-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 LMNA 1925/4885NPY5R 1/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 2068/4885NPY5R 1/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 1857/4885NPY5R 1/4885KMT2A 2953/4885

“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.