SCHEMBL10116202

SCHEMBL10116202

C[C@@H]1CN(c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2Cl)C[C@H](C)O1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPY5R Q15761 1/20 0.44
EPHX2 P34913 2/20 0.43
NPY2R P49146 1/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MALT1 Q9UDY8 2/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
RAB9A P51151 1/20 0.42
GSK3B P49841 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL10133406 1.00 HPGD (0.49) HPGDALDH1A1TSHRKMT2AMEN1
SCHEMBL10114324 1.00 HPGD (0.49) HPGDALDH1A1TSHRKMT2AMEN1
SCHEMBL14627693 1.00 HPGD (0.49) HPGDALDH1A1TSHRKMT2AMEN1
SCHEMBL10114320 0.90 NPY5R (0.45) ALDH1A1KMT2AMEN1NPY5REPHX2
SCHEMBL12882405 0.90 NPY5R (0.45) ALDH1A1KMT2AMEN1NPY5REPHX2
SCHEMBL12882404 0.89 MAPT (0.49) ALDH1A1KMT2AMEN1NPY5RNPY2R
SCHEMBL10114330 0.89 MAPT (0.49) ALDH1A1KMT2AMEN1NPY5RNPY2R
SCHEMBL10133617 0.88 HPGD (0.48) HPGDALDH1A1TSHRKMT2AMEN1
SCHEMBL10116482 0.88 HPGD (0.48) HPGDALDH1A1TSHRKMT2AMEN1
SCHEMBL10114721 0.88 HPGD (0.48) HPGDALDH1A1TSHRKMT2AMEN1

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 HPGD 3487/4885ALDH1A1 4558/4885TSHR 163/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HPGD 3475/4885ALDH1A1 4599/4885TSHR 189/4885

“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.