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SCHEMBL10115709

SCHEMBL10115709

CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2c(F)cccc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CCR8 P51685 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ PAK1 Q13153 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL10115544 0.88 OPRM1 (0.40) NPC1LMNANPSR1KMT2ANPY5R
SCHEMBL10115548 0.87 KMT2A (0.54) NPC1KMT2ARAB9ACCR8OPRM1
SCHEMBL10116054 0.83 ALDH1A1 (0.50) ALDH1A1NPC1LMNAKMT2ARAB9A
SCHEMBL10115586 0.83 NPC1 (0.58) ALDH1A1NPC1LMNAKMT2APOLB
SCHEMBL10114621 0.82 KMT2A (0.59) ALDH1A1NPC1LMNANPSR1KMT2A
SCHEMBL10115579 0.81 ALDH1A1 (0.55) ALDH1A1NPC1LMNANPSR1RAB9A
SCHEMBL10115559 0.81 TAS1R3 (0.48) NPC1LMNANPSR1KMT2ANPY5R
SCHEMBL10115710 0.81 LMNA (0.46) NPC1LMNANPSR1KMT2ARAB9A
SCHEMBL10114500 0.81 NPY5R (0.57) ALDH1A1NPC1LMNAKMT2ANPY5R
SCHEMBL14424166 0.81 NPY5R (0.57) ALDH1A1NPC1LMNAKMT2ANPY5R

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 4558/4885NPC1 1435/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885NPC1 1353/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885NPC1 1462/4885LMNA 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.