SCHEMBL4119282

SCHEMBL4119282

CCCCCC(C(=O)OCC)C(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.42
GPR84 Q9NQS5 7/20 0.38
CA1 P00915 3/20 0.38
FFAR1 O14842 1/20 0.38
CPB2 Q96IY4 1/20 0.38
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
FAAH O00519 1/20 0.37
CA2 P00918 2/20 0.36

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
SCHEMBL260349 0.98 ZDHHC7 (0.44) ZDHHC7GPR84FFAR1CPB2MAPT
SCHEMBL2803737 0.98 ZDHHC7 (0.44) ZDHHC7GPR84FFAR1CPB2MAPT
Acetic Acid SCHEMBL9301447 0.93 GPR84 (0.42) ZDHHC7GPR84FFAR1CPB2MAPT
SCHEMBL13269368 0.88 ZDHHC7 (0.47) ZDHHC7GPR84CA1FFAR1CPB2
SCHEMBL6772533 0.86 GPR84 (0.42) ZDHHC7GPR84FFAR1CPB2MAPT
SCHEMBL7070785 0.86 ZDHHC7 (0.50) ZDHHC7GPR84FFAR1CPB2MAPT
SCHEMBL19690704 0.86 ZDHHC7 (0.50) ZDHHC7GPR84FFAR1CPB2MAPT
SCHEMBL3682993 0.82 CA1 (0.44) ZDHHC7GPR84CA1FFAR1CPB2
SCHEMBL234311 0.81 CA2 (0.47) ZDHHC7CA1CPB2CA2
SCHEMBL17713606 0.81 ZDHHC7 (0.46) ZDHHC7GPR84CA1FFAR1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2018-12-11 US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 US disclosed
US-9394278-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2016-07-19 US disclosed
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2015-11-12 US disclosed
US-9023872-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2015-05-05 US disclosed
US-20130137671-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC. 2013-05-30 US disclosed
US-8207198-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2012-06-26 US disclosed
EP-1841758-B1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2009-11-18 EP disclosed
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2009-10-08 US disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 US disclosed
EP-1841758-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2007-10-10 EP disclosed
WO-2006077496-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2006-07-27 WO disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 US disclosed
EP-0962457-B1 Piperidones as tachykinin antagonists PFIZER LTD (GB) 2003-08-06 EP disclosed
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US disclosed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP disclosed
EP-0962457-A1 Piperidones as tachykinin antagonists Pfizer Limited (GB) 1999-12-08 EP disclosed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 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 (7 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-20130137671-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, AVPR1B, GNRHR ZDHHC7 2499/4885GPR84 505/4885CA1 4194/4885
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR ZDHHC7 2499/4885GPR84 505/4885CA1 4194/4885
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR ZDHHC7 2499/4885GPR84 505/4885CA1 4194/4885
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR ZDHHC7 2499/4885GPR84 505/4885CA1 4194/4885
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, AVPR1B, GNRHR ZDHHC7 2499/4885GPR84 505/4885CA1 4194/4885
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR ZDHHC7 2499/4885GPR84 505/4885CA1 4194/4885
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 ZDHHC7 1587/4885GPR84 1513/4885CA1 935/4885

“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.