Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114802

SCHEMBL10114802

SCHEMBL10114802

CC(CCNS(=O)(=O)C(C)C)CC(=O)Nc1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 5/20 0.41
▸ GAA P10253 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ CCR1 P32246 7/20 0.39
▸ HTT P42858 3/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL12882342 0.88 CCR1 (0.39) CCR1
SCHEMBL13565164 0.87 CCR1 (0.42) CCR1
SCHEMBL10114452 0.87 CACNA1G (0.49) ALDH1A1LMNAMAPTGAAKMT2A
SCHEMBL10114846 0.86 ALDH1A1 (0.44) ALDH1A1LMNAMAPTGAACA1
SCHEMBL17090362 0.81 CCR1 (0.47) CCR1
SCHEMBL11935768 0.80 CCR1 (0.42) CCR1
SCHEMBL10115071 0.78 ALDH1A1 (0.43) ALDH1A1LMNAMAPTGAACA1
SCHEMBL13204917 0.77 ALDH1A1 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL13565141 0.77 CCR1 (0.41) MAPTCCR1
SCHEMBL17090393 0.77 CCR1 (0.41) CCR1

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 ALDH1A1 4558/4885LMNA 1925/4885MAPT 3602/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885LMNA 1857/4885MAPT 3683/4885

“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.