SCHEMBL6948618

SCHEMBL6948618

CCC1NC(=O)CNC1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
ITGB3 P05106 11/20 0.36
ITGA2B P08514 4/20 0.36
GHSR Q92847 2/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ITGAV P06756 8/20 0.31
ITGB5 P18084 7/20 0.31
HDAC8 Q9BY41 2/20 0.31
KEAP1 Q14145 1/20 0.31

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
SCHEMBL417814 1.00 HRH3 (0.37) HRH3ITGB3ITGA2BGHSRALDH1A1
SCHEMBL31509521 0.83 GHSR (0.41) HRH3ITGB3ITGA2BGHSRITGAV
SCHEMBL2418713 0.80 ITGB3 (0.42) ITGB3ITGA2BALDH1A1ITGAVITGB5
SCHEMBL31509536 0.80 ITGB3 (0.42) ITGB3ITGA2BALDH1A1ITGAVITGB5
SCHEMBL4402037 0.80 HRH3 (0.38) HRH3ITGB3ITGA2BGHSRITGAV
SCHEMBL4410585 0.80 HRH3 (0.38) HRH3ITGB3ITGA2BGHSRITGAV
SCHEMBL12334338 0.80 HRH3 (0.38) HRH3ITGB3ITGA2BGHSRITGAV
SCHEMBL14156666 0.79 HRH3 (0.36) HRH3ITGB3ITGA2BGHSR
SCHEMBL4838771 0.79 HRH3 (0.36) HRH3ITGB3ITGA2BGHSR
SCHEMBL4838753 0.79 HRH3 (0.36) HRH3ITGB3ITGA2BGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3864012-B1 SAVOURY AND MOUTHFULNESS TASTE ENHANCERS LUCTA S A (ES) 2023-09-13 EP disclosed
US-9750738-B2 Arylpiperazine opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2017-09-05 US disclosed
US-9273027-B2 Arylpiperazine opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2016-03-01 US disclosed
US-8435997-B2 Cysteine prodrugs to treat schizophrenia and drug addiction MARQUETTE UNIVERSITY (US) 2013-05-07 US disclosed
US-20120295919-A1 ARYLPIPERAZINE OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2012-11-22 US disclosed
WO-2011106039-A1 ARYLPIPERAZONE OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2011-09-01 WO disclosed
US-20110021533-A1 CYSTEINE PRODRUGS TO TREAT SCHIZOPHRENIA AND DRUG ADDICTION MARQUETTE UNIVERSITY (US) 2011-01-27 US disclosed
US-7829709-B1 Cysteine prodrugs to treat schizophrenia and drug addiction MARQUETTE UNIVERSITY (US) 2010-11-09 US disclosed
WO-2006113942-A2 METHOD OF INHIBITING CATHEPSIN ACTIVITY SCHERING CORPORATION (US) 2006-10-26 WO disclosed
US-6552029-B1 For therapy of rheumatoid arthritis, psoriasis, graft v. host disease, asthma, atopic dermatitis, allergic rhinitis, allergic conjunctivitis, complications following percutaneous transluminal coronary angioplasty, thrombosis CELLTECH R&D LIMITED (GB) 2003-04-22 US disclosed
EP-0934304-B1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 2003-02-26 EP disclosed
US-6114333-A 2-Pyrimidineamine derivatives and processes for their preparation CELLTECH THERAPEUTICS LTD. (GB) 2000-09-05 US disclosed
EP-0934304-A1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1999-08-11 EP disclosed
WO-1998018782-A1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1998-05-07 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-20120295919-A1 ARYLPIPERAZINE OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRD1 HRH3 221/4885ITGB3 1071/4885ITGA2B 2557/4885
US-20110021533-A1 CYSTEINE PRODRUGS TO TREAT SCHIZOPHRENIA AND DRUG ADDICTION CTH, CBS, SLC6A3 HRH3 3124/4885ITGB3 3980/4885ITGA2B 4249/4885

“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.