SCHEMBL17451

SCHEMBL17451

COc1cccc(CC2NC(=O)CNC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
EED O75530 1/20 0.45
CMA1 P23946 1/20 0.43
CHRM4 P08173 2/20 0.43
DRD2 P14416 2/20 0.43
HTR7 P34969 2/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
DAO P14920 1/20 0.43
GHSR Q92847 2/20 0.42
HTR1B P28222 1/20 0.41
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.40
HTR1A P08908 1/20 0.40
SLC6A4 P31645 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CXCR4 P61073 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 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
SCHEMBL5559197 0.86 HRH3 (0.46) HRH3DRD2DAOGHSRCXCR4
SCHEMBL12809720 0.80 HRH3 (0.44) HRH3GHSRCXCR4
SCHEMBL1673516 0.78 HDAC8 (0.57) HRH3GHSRCXCR4
SCHEMBL1598687 0.78 HDAC8 (0.57) HRH3GHSRCXCR4
SCHEMBL7304234 0.78 HDAC8 (0.57) HRH3GHSRCXCR4
SCHEMBL6133060 0.78 HRH3 (0.46) HRH3ALDH1A1CXCR4
SCHEMBL18293 0.78 HRH3 (0.46) HRH3DDB1CRBNGHSRCXCR4
SCHEMBL6132449 0.78 HRH3 (0.46) HRH3ALDH1A1CXCR4
SCHEMBL12148795 0.76 HDAC8 (0.54) HRH3GHSRCXCR4
SCHEMBL8135311 0.76 HDAC8 (0.54) HRH3GHSRCXCR4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609081-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES Amgen Inc. (US) 2013-07-03 EP disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed
US-6924278-B2 Heterocyclic carboxy amines such as (2R)-1-[3,5-Bis(trifluoromethyl)benzoyl]-4-[4-((3S)-3-ethylmorpholino)-2-butynyl]-2-[(1H-indol-3-yl)methyl]piperazine, used as substance P and neurokinin antagonist for prophylaxis of diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-02 US disclosed
US-20050027121-A1 Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-02-03 US disclosed
EP-0993457-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed
WO-1998057954-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-23 WO 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-20050027121-A1 Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists TAC3, TACR1, SSTR5 HRH3 229/4885EED 3162/4885CMA1 392/4885
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES GCKR, GCK, SLC5A2 HRH3 4864/4885EED 4814/4885CMA1 2878/4885

“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.