SCHEMBL10114968

SCHEMBL10114968

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(OCC3CCCCO3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.47
ACACB O00763 1/20 0.47
ENPP3 O14638 3/20 0.44
ENPP1 P22413 3/20 0.44
ENPP2 Q13822 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.44
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL13204443 1.00 RAB9A (0.51) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL14627684 0.87 RAB9A (0.51) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL10114608 0.87 RAB9A (0.51) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL10116154 0.85 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL14424352 0.84 KMT2A (0.50) LMNAALDH1A1ACACBENPP3ENPP1
SCHEMBL10114616 0.84 KMT2A (0.50) LMNAALDH1A1ACACBENPP3ENPP1
SCHEMBL17090200 0.83 RAB9A (0.45) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL13565441 0.83 RAB9A (0.45) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL10113998 0.80 KMT2A (0.53) SMN1; SMN2LMNAACACBENPP3ENPP1
SCHEMBL10114938 0.80 PTPN1 (0.56) RAB9ASMN1; SMN2LMNAENPP3ENPP1

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 7 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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 RAB9A 3651/4885NPC1 1353/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3820/4885NPC1 1462/4885SMN1; SMN2 2251/4885

“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.