SCHEMBL10114982

SCHEMBL10114982

Cc1cnc(-c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)cc2)o1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 6/20 0.44
PTPN1 P18031 3/20 0.42
PTPN2 P17706 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NAMPT P43490 1/20 0.39
POLB P06746 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
FAAH O00519 1/20 0.38
EPHX2 P34913 1/20 0.38
AAK1 Q2M2I8 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
SCHEMBL13204417 1.00 GRIA2 (0.44) GRIA2PTPN1PTPN2NPC1RAB9A
SCHEMBL14424347 0.83 FAAH (0.55) GRIA2PTPN1PTPN2NPC1RAB9A
SCHEMBL10114567 0.83 FAAH (0.55) GRIA2PTPN1PTPN2NPC1RAB9A
SCHEMBL11941028 0.82 GRIA2 (0.41) GRIA2PIK3CDPIK3CBPIK3CG
SCHEMBL13439237 0.82 GRIA2 (0.41) GRIA2PIK3CDPIK3CBPIK3CG
SCHEMBL13204270 0.80 ALDH1A1 (0.55) NPSR1NAMPTFAAHEPHX2
SCHEMBL10114691 0.80 ALDH1A1 (0.55) NPSR1NAMPTFAAHEPHX2
SCHEMBL10114025 0.80 MAPT (0.51) GRIA2PTPN1PTPN2NPC1RAB9A
SCHEMBL14424624 0.80 MAPT (0.51) GRIA2PTPN1PTPN2NPC1RAB9A
SCHEMBL10114826 0.80 MAPT (0.51) GRIA2PTPN1PTPN2NPC1RAB9A

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 7 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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 (2 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA2 334/4885PTPN1 353/4885PTPN2 367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA2 358/4885PTPN1 325/4885PTPN2 329/4885

“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.