SCHEMBL4386794

SCHEMBL4386794

CNC(=O)OC1CCN(C(=S)Nc2ccc(OC)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
NAMPT P43490 3/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
GLA P06280 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.43
PABPC1 P11940 1/20 0.43

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
SCHEMBL4126551 0.89 NAMPT (0.48) ALDH1A1KMT2AMEN1NAMPTKDM4E
SCHEMBL4130196 0.83 HTT (0.54) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL4125589 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL4119415 0.80 MEN1 (0.45) ALDH1A1KMT2AMEN1NAMPTKDM4E
SCHEMBL4125587 0.79 MEN1 (0.46) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL4120219 0.79 OXTR (0.53) NAMPTKDM4EMAPT
SCHEMBL4126374 0.78 SMN1; SMN2 (0.52) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL4124923 0.78 SMN1; SMN2 (0.47) ALDH1A1KMT2AMEN1NAMPTKDM4E
SCHEMBL4130634 0.78 KDM4E (0.53) NAMPTKDM4EMAPT
SCHEMBL4130750 0.77 NAMPT (0.42) ALDH1A1KMT2AMEN1NAMPTKDM4E

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 6 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-20130137671-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC. 2013-05-30 US disclosed
EP-1841758-B1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2009-11-18 EP disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 US disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 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 (4 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 ALDH1A1 3751/4885KMT2A 4365/4885MEN1 2713/4885
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR ALDH1A1 3751/4885KMT2A 4365/4885MEN1 2713/4885
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR ALDH1A1 3751/4885KMT2A 4365/4885MEN1 2713/4885
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR ALDH1A1 3751/4885KMT2A 4365/4885MEN1 2713/4885

“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.