SCHEMBL10115558

SCHEMBL10115558

C[C@@H]1CN(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)c(F)c2)C[C@H](C)O1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
OPRM1 P35372 1/20 0.41
THRB P10828 1/20 0.40
HTT P42858 1/20 0.39
USP30 Q70CQ3 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PAK1 Q13153 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CCR8 P51685 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL10133275 1.00 MAPT (0.41) MAPTSMN1; SMN2TP53OPRM1THRB
SCHEMBL10133585 0.91 HRH3 (0.47) THRBHTTHRH3CCR8RAB9A
SCHEMBL10115561 0.91 HRH3 (0.47) THRBHTTHRH3CCR8RAB9A
SCHEMBL10133518 0.88 MAPT (0.41) MAPTSMN1; SMN2TP53OPRM1THRB
SCHEMBL10115881 0.88 MAPT (0.41) MAPTSMN1; SMN2TP53OPRM1THRB
SCHEMBL14424253 0.86 NPY5R (0.46) MAPTSMN1; SMN2TP53HRH3KMT2A
SCHEMBL13204140 0.86 NPY5R (0.46) MAPTSMN1; SMN2TP53HRH3KMT2A
SCHEMBL10133481 0.86 NPY5R (0.46) MAPTSMN1; SMN2TP53HRH3KMT2A
SCHEMBL10115564 0.86 USP30 (0.39) OPRM1THRBHTTUSP30CCR8
SCHEMBL10114326 0.86 NPY5R (0.46) MAPTSMN1; SMN2TP53HRH3KMT2A

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-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
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 (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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R MAPT 3602/4885SMN1; SMN2 2213/4885TP53 4449/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885SMN1; SMN2 2197/4885TP53 4417/4885

“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.