SCHEMBL10134518

SCHEMBL10134518

CC1CN(c2cccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)c2)CC(C)O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.52
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
KIF18A Q8NI77 2/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
JAK2 O60674 2/20 0.41
BRD4 O60885 2/20 0.41

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
SCHEMBL10116185 1.00 RXFP1 (0.52) RXFP1LMNAALDH1A1HPGDCRHBP
SCHEMBL10116192 0.89 MAPT (0.52) RXFP1LMNAALDH1A1CRHBPCRHR2
SCHEMBL10114483 0.89 MAPT (0.52) RXFP1LMNAALDH1A1CRHBPCRHR2
SCHEMBL10133444 0.89 MAPT (0.52) RXFP1LMNAALDH1A1CRHBPCRHR2
SCHEMBL10116222 0.89 MAPT (0.52) RXFP1LMNAALDH1A1CRHBPCRHR2
SCHEMBL10116456 0.86 RXFP1 (0.52) RXFP1LMNAALDH1A1HPGDTHRB
SCHEMBL10134184 0.86 RXFP1 (0.52) RXFP1LMNAALDH1A1HPGDTHRB
SCHEMBL10116207 0.85 MAPT (0.44) RXFP1LMNAALDH1A1CRHBPCRHR2
SCHEMBL10134532 0.85 RXFP1 (0.56) RXFP1LMNAALDH1A1HPGDCRHBP
SCHEMBL10116362 0.85 RXFP1 (0.56) RXFP1LMNAALDH1A1HPGDCRHBP

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 4 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-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-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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 RXFP1 53/4885LMNA 2068/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RXFP1 54/4885LMNA 1857/4885ALDH1A1 4517/4885

“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.