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SCHEMBL10114567

SCHEMBL10114567

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3ncco3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.55
▸ EPHX2 P34913 1/20 0.55
▸ ADORA2A P29274 2/20 0.43
▸ ADORA2B P29275 2/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ ROCK2 O75116 4/20 0.41
▸ ROCK1 Q13464 4/20 0.41
▸ GRIA2 P42262 3/20 0.41
▸ PKN2 Q16513 3/20 0.40
▸ RPS6KA5 O75582 2/20 0.40
▸ LRRK2 Q5S007 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ CHUK O15111 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ LTK P29376 1/20 0.40

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
SCHEMBL14424347 1.00 FAAH (0.55) FAAHEPHX2ADORA2AADORA2BADORA1
SCHEMBL13204440 0.85 GRIA2 (0.42) FAAHEPHX2ADORA2AADORA2BADORA1
SCHEMBL10114994 0.85 GRIA2 (0.42) FAAHEPHX2ADORA2AADORA2BADORA1
SCHEMBL10116125 0.84 FAAH (0.47) FAAHEPHX2GRIA2TSHRNPSR1
SCHEMBL10114982 0.83 GRIA2 (0.44) FAAHEPHX2POLBROCK2ROCK1
SCHEMBL13204417 0.83 GRIA2 (0.44) FAAHEPHX2POLBROCK2ROCK1
SCHEMBL10114572 0.81 TAAR1 (0.50) ADORA2AADORA2BADORA1POLBGRIA2
SCHEMBL14424620 0.81 TAAR1 (0.50) ADORA2AADORA2BADORA1POLBGRIA2
SCHEMBL10114922 0.80 KMT2A (0.42) ROCK2ROCK1GRIA2PKN2RPS6KA5
SCHEMBL13439056 0.80 LTA4H (0.45) FAAHEPHX2GRIA2LTA4H

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 FAAH 974/4885EPHX2 2158/4885ADORA2A 1321/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R FAAH 994/4885EPHX2 2527/4885ADORA2A 1330/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R FAAH 974/4885EPHX2 2306/4885ADORA2A 1307/4885

“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.