SCHEMBL10114964

SCHEMBL10114964

CC1CCCC(c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)cc2)C1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 11/20 0.44
GRIA2 P42262 1/20 0.43
NPSR1 Q6W5P4 2/20 0.40
NAMPT P43490 1/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL13204453 1.00 GRIA4 (0.44) GRIA4GRIA2NPSR1NAMPTMEN1
SCHEMBL10116175 0.84 GRIA4 (0.42) GRIA4GRIA2NPSR1NAMPTLMNA
SCHEMBL14418518 0.83 NAMPT (0.40) GRIA4GRIA2NPSR1NAMPTMEN1
SCHEMBL14424201 0.83 NAMPT (0.40) GRIA4GRIA2NPSR1NAMPTMEN1
SCHEMBL13204426 0.82 PTPN1 (0.56) NPSR1NAMPTMEN1LMNAKMT2A
SCHEMBL10114938 0.82 PTPN1 (0.56) NPSR1NAMPTMEN1LMNAKMT2A
SCHEMBL13204438 0.81 SMN1; SMN2 (0.49) NPSR1NAMPTMEN1LMNAKMT2A
SCHEMBL10114959 0.81 SMN1; SMN2 (0.49) NPSR1NAMPTMEN1LMNAKMT2A
SCHEMBL10114976 0.81 NAMPT (0.44) GRIA2NPSR1NAMPTMEN1LMNA
SCHEMBL13204454 0.81 NAMPT (0.44) GRIA2NPSR1NAMPTMEN1LMNA

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 5 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-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-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA4 335/4885GRIA2 334/4885NPSR1 8/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA4 372/4885GRIA2 358/4885NPSR1 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.