Sugi Predict

Sugi Predict / Compounds / SCHEMBL10115816

SCHEMBL10115816

SCHEMBL10115816

CC1CCC(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 11/20 0.48
▸ LMNA P02545 2/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CYP2C9 P11712 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL10115850 0.90 LMNA (0.47) NAMPTLMNAEPHX2NPSR1CYP2C9
SCHEMBL10114661 0.90 NAMPT (0.49) NAMPTLMNANPSR1CYP2C9CYP3A4
SCHEMBL10116151 0.85 NAMPT (0.49) NAMPTLMNAEPHX2NPSR1CYP2C9
SCHEMBL12882021 0.84 LMNA (0.53) LMNAEPHX2NPSR1TSHRKDM4E
SCHEMBL10115527 0.84 LMNA (0.66) LMNANPSR1NPC1RAB9AMAPT
SCHEMBL10115617 0.84 LMNA (0.53) LMNAEPHX2NPSR1MAPTTP53
SCHEMBL10114621 0.83 KMT2A (0.59) LMNANPSR1CYP2C9NPC1RAB9A
SCHEMBL10115550 0.83 ALOX5 (0.56) LMNAEPHX2NPSR1CYP3A4NPC1
SCHEMBL10115581 0.83 CNR2 (0.56) LMNAEPHX2NPSR1MAPTALDH1A1
SCHEMBL10115579 0.83 ALDH1A1 (0.55) LMNANPSR1CYP2C9NPC1RAB9A

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 NAMPT 2678/4885LMNA 1925/4885EPHX2 2158/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2350/4885LMNA 2068/4885EPHX2 2527/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2832/4885LMNA 1857/4885EPHX2 2306/4885

“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.