Sugi Predict

Sugi Predict / Compounds / SCHEMBL10116175

SCHEMBL10116175

SCHEMBL10116175

CC1CCCC(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)C)CC3)cc2)C1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRIA4 P48058 10/20 0.42
▸ GRIA2 P42262 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ CCR8 P51685 1/20 0.38

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
SCHEMBL10115848 0.86 LMNA (0.44) LMNANPSR1NAMPTPOLBALOX15
SCHEMBL10114964 0.84 GRIA4 (0.44) GRIA4GRIA2LMNANPSR1NAMPT
SCHEMBL13204453 0.84 GRIA4 (0.44) GRIA4GRIA2LMNANPSR1NAMPT
SCHEMBL10114605 0.82 NAMPT (0.50) NAMPTNPC1MAPTRAB9A
SCHEMBL10116151 0.81 NAMPT (0.49) LMNANPSR1NAMPTNPC1MAPT
SCHEMBL10116161 0.81 EPHX2 (0.43) LMNANPSR1NAMPTMAPTKMT2A
SCHEMBL12882838 0.81 TSHR (0.48) LMNANPSR1POLBALOX15NPC1
SCHEMBL13222448 0.81 GAA (0.50) LMNANPSR1POLBALOX15NPC1
SCHEMBL10115847 0.81 LMNA (0.59) LMNANPSR1POLBALOX15NPC1
SCHEMBL10116169 0.81 NAMPT (0.46) LMNANPSR1NAMPTNPC1MAPT

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 11 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
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — 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 (3 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 GRIA4 371/4885GRIA2 347/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA4 335/4885GRIA2 334/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA4 372/4885GRIA2 358/4885LMNA 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.