SCHEMBL10133384

SCHEMBL10133384

C[C@@H]1CN(c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)CCO1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
EPHX2 P34913 2/20 0.46
NPY5R Q15761 1/20 0.46
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MCHR1 Q99705 2/20 0.42
RAB9A P51151 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
GSK3B P49841 2/20 0.40
KIF18A Q8NI77 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL14424742 1.00 ALDH1A1 (0.48) ALDH1A1EPHX2NPY5RMAPTSMN1; SMN2
SCHEMBL13144983 0.88 MAPT (0.50) ALDH1A1EPHX2NPY5RMAPTSMN1; SMN2
SCHEMBL13204166 0.88 MAPT (0.50) ALDH1A1EPHX2NPY5RMAPTSMN1; SMN2
SCHEMBL10114327 0.88 MAPT (0.50) ALDH1A1EPHX2NPY5RMAPTSMN1; SMN2
SCHEMBL278192 0.88 MAPT (0.50) ALDH1A1EPHX2NPY5RMAPTSMN1; SMN2
SCHEMBL11936567 0.88 MAPT (0.50) ALDH1A1EPHX2NPY5RMAPTSMN1; SMN2
SCHEMBL10114387 0.88 MAPT (0.50) ALDH1A1EPHX2NPY5RMAPTSMN1; SMN2
SCHEMBL10133980 0.88 MAPT (0.50) ALDH1A1EPHX2NPY5RMAPTSMN1; SMN2
SCHEMBL13203694 0.88 ALDH1A1 (0.63) ALDH1A1EPHX2NPY5RMAPTSMN1; SMN2
SCHEMBL10113057 0.88 ALDH1A1 (0.63) ALDH1A1EPHX2NPY5RMAPTSMN1; SMN2

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 3 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-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 (1 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 ALDH1A1 4599/4885EPHX2 2527/4885NPY5R 1/4885

“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.