SCHEMBL10133455

SCHEMBL10133455

CC1CN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)C)cc3)cc2)CC(C)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
ALDH1A1 P00352 4/20 0.48
LMNA P02545 4/20 0.48
THRB P10828 1/20 0.47
KMT2A Q03164 5/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ATM Q13315 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 4/20 0.45
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RXFP1 Q9HBX9 1/20 0.44
MCL1 Q07820 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL10116505 1.00 MAPT (0.52) MAPTALDH1A1LMNATHRBKMT2A
SCHEMBL10114527 1.00 MAPT (0.52) MAPTALDH1A1LMNATHRBKMT2A
SCHEMBL10134184 0.89 RXFP1 (0.52) MAPTALDH1A1LMNATHRBKMT2A
SCHEMBL10116456 0.89 RXFP1 (0.52) MAPTALDH1A1LMNATHRBKMT2A
SCHEMBL10116489 0.88 THRB (0.43) MAPTALDH1A1LMNATHRBKMT2A
SCHEMBL10133611 0.88 LMNA (0.48) MAPTALDH1A1LMNATHRBKMT2A
SCHEMBL10116543 0.88 LMNA (0.48) MAPTALDH1A1LMNATHRBKMT2A
SCHEMBL10134536 0.88 MAPT (0.46) MAPTALDH1A1LMNAKMT2AUSP2
SCHEMBL13204906 0.88 MAPT (0.46) MAPTALDH1A1LMNAKMT2AUSP2
SCHEMBL10116495 0.88 MAPT (0.46) MAPTALDH1A1LMNAKMT2AUSP2

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 MAPT 3367/4885ALDH1A1 4599/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885ALDH1A1 4517/4885LMNA 1857/4885

“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.