SCHEMBL10114435

SCHEMBL10114435

C[C@@H]1CN(c2ccc(NC(=O)CCCC(=O)NS(=O)(=O)C(C)(C)C)cc2)C[C@H](C)O1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
GAA P10253 4/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 2/20 0.43
ALOX15 P16050 1/20 0.43
USP2 O75604 2/20 0.43
NPC1 O15118 2/20 0.43
TSHR P16473 1/20 0.42
MCHR1 Q99705 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 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
SCHEMBL10133426 1.00 MAPT (0.50) MAPTGAAALDH1A1KDM4ENPSR1
SCHEMBL13972710 0.88 MAPT (0.49) MAPTGAAALDH1A1KDM4ENPSR1
SCHEMBL13565457 0.88 MAPT (0.43) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL11935268 0.88 MAPT (0.43) MAPTGAAALDH1A1KDM4ETP53
SCHEMBL10115047 0.88 MAPT (0.48) MAPTGAAALDH1A1KDM4ENPSR1
SCHEMBL10113622 0.88 MAPT (0.48) MAPTGAAALDH1A1KDM4ENPSR1
SCHEMBL10113454 0.88 MAPT (0.48) MAPTGAAALDH1A1KDM4ENPSR1
SCHEMBL13204500 0.86 KMT2A (0.46) MAPTGAAALDH1A1TP53ALOX15
SCHEMBL10133225 0.86 KMT2A (0.46) MAPTGAAALDH1A1TP53ALOX15
SCHEMBL10115100 0.86 KMT2A (0.46) MAPTGAAALDH1A1TP53ALOX15

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 3602/4885GAA 3448/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885GAA 3316/4885ALDH1A1 4599/4885

“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.