SCHEMBL10134104

SCHEMBL10134104

CCCCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CC(C)OC(C)C3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
ELOVL6 Q9H5J4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHUK O15111 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
PRKD3 O94806 1/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
LTK P29376 1/20 0.36
CDK8 P49336 1/20 0.36
PRKX P51817 1/20 0.36

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
SCHEMBL10114856 1.00 MAPT (0.43) MAPTPOLBNPSR1ELOVL6ALDH1A1
SCHEMBL13204369 1.00 MAPT (0.43) MAPTPOLBNPSR1ELOVL6ALDH1A1
SCHEMBL14424361 1.00 MAPT (0.43) MAPTPOLBNPSR1ELOVL6ALDH1A1
SCHEMBL10114884 0.94 MAPT (0.45) MAPTPOLBNPSR1ALDH1A1SMN1; SMN2
SCHEMBL14424372 0.94 MAPT (0.45) MAPTPOLBNPSR1ALDH1A1SMN1; SMN2
SCHEMBL10134476 0.94 MAPT (0.45) MAPTPOLBNPSR1ALDH1A1SMN1; SMN2
SCHEMBL13204368 0.94 MAPT (0.45) MAPTPOLBNPSR1ALDH1A1SMN1; SMN2
SCHEMBL10114225 0.92 MAPT (0.46) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL10114834 0.92 MAPT (0.46) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL14424268 0.92 MAPT (0.46) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1

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 3367/4885POLB 4751/4885NPSR1 8/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885POLB 4721/4885NPSR1 7/4885

“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.