SCHEMBL12685461

SCHEMBL12685461

N/C(CCC(F)(F)F)=N\O

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.30

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
SCHEMBL18603132 1.00 CYP2D6 (0.55) CYP2D6TSHR
SCHEMBL19611532 0.85 CYP2D6 (0.50) CYP2D6
SCHEMBL19611531 0.85 CYP2D6 (0.50) CYP2D6
SCHEMBL20295208 0.73 CYP2D6 (1.00) CYP2D6TSHR
SCHEMBL13732300 0.72
SCHEMBL13732301 0.72
SCHEMBL11232764 0.69
SCHEMBL1343565 0.69 CYP2D6 (0.48) CYP2D6
SCHEMBL1343560 0.69 CYP2D6 (0.48) CYP2D6
SCHEMBL23414729 0.68

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
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 US disclosed
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 US disclosed
US-10562869-B2 Oxadiazole compounds REMYND NV (BE) 2020-02-18 US disclosed
US-10562869-B2 Oxadiazole compounds REMYND NV (BE) 2020-02-18 US disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US disclosed
EP-2686312-B1 N-CYCLOPROPYL-N-PIPERIDINYLBENZAMIDES AS GPR119 MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-08-31 EP disclosed
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 WO disclosed
US-8822471-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-8822471-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-20130065906-A1 New compounds, pharmaceutical compositions and uses thereof NEUROCRINE BIOSCIENCES, INC. (US) 2013-03-14 US disclosed
US-20130065906-A1 New compounds, pharmaceutical compositions and uses thereof NEUROCRINE BIOSCIENCES, INC. (US) 2013-03-14 US disclosed
WO-2012123449-A1 N- CYCLOPROPYL - N- PIPERIDINYLBENZAMIDES AS GPR119 MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-20 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 (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-20130065906-A1 New compounds, pharmaceutical compositions and uses thereof GPR119, GPR55, GPR65 CYP2D6 664/4885TSHR 502/4885
US-10562869-B2 Oxadiazole compounds OXA1L, PSEN1, MAPT CYP2D6 739/4885TSHR 1833/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT CYP2D6 873/4885TSHR 1962/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT CYP2D6 739/4885TSHR 1833/4885

“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.