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SCHEMBL10114580

SCHEMBL10114580

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(OCC3CC3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NR1H4 Q96RI1 2/20 0.47
▸ GRIA2 P42262 1/20 0.46
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45

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
SCHEMBL14424353 1.00 ALDH1A1 (0.47) ALDH1A1LMNANR1H4GRIA2MTNR1A
SCHEMBL10114060 0.90 SMN1; SMN2 (0.53) ALDH1A1LMNAGRIA2MTNR1AMTNR1B
SCHEMBL10114082 0.88 TP53 (0.53) ALDH1A1LMNAGRIA2MTNR1AMTNR1B
SCHEMBL10114062 0.88 ALDH1A1 (0.48) ALDH1A1LMNAGRIA2MTNR1AMTNR1B
SCHEMBL14424352 0.88 KMT2A (0.50) ALDH1A1LMNAHTTKMT2ATP53
SCHEMBL10114616 0.88 KMT2A (0.50) ALDH1A1LMNAHTTKMT2ATP53
SCHEMBL10114061 0.87 THRB (0.50) ALDH1A1LMNANR1H4GRIA2MTNR1A
SCHEMBL12882303 0.87 GRIA2 (0.46) ALDH1A1LMNAGRIA2MTNR1AMTNR1B
SCHEMBL10114079 0.87 KMT2A (0.49) ALDH1A1LMNAGRIA2MTNR1AMTNR1B
SCHEMBL10114084 0.86 GRIA2 (0.45) ALDH1A1LMNAGRIA2MTNR1AMTNR1B

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 9 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-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 1925/4885NR1H4 283/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885NR1H4 311/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885LMNA 1857/4885NR1H4 278/4885

“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.