SCHEMBL796756

SCHEMBL796756

O=C(Cl)c1ccc(OC2CCCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.47
KCNH2 Q12809 1/20 0.47
ACACB O00763 3/20 0.44
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
PARP10 Q53GL7 1/20 0.41
S1PR1 P21453 1/20 0.40
NAMPT P43490 2/20 0.39
CHRNA7 P36544 1/20 0.39
DGAT1 O75907 1/20 0.38
NNMT P40261 1/20 0.38

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
SCHEMBL796242 0.86 MAPT (0.53) OPRK1KCNH2ACACBCXCR1CXCR2
SCHEMBL796604 0.84 MAPT (0.51) OPRK1KCNH2ACACBCXCR1CXCR2
SCHEMBL4767310 0.84 MAPT (0.51) OPRK1KCNH2ACACBCXCR1CXCR2
SCHEMBL840798 0.83 MAPT (0.53) OPRK1KCNH2ACACBPARP10DGAT1
SCHEMBL17220370 0.81 OPRK1 (0.43) OPRK1KCNH2ACACBNAMPT
SCHEMBL26054663 0.81 ACACB (0.45) OPRK1KCNH2ACACBCXCR1CXCR2
SCHEMBL31281542 0.79 MAPT (0.60) OPRK1KCNH2DGAT1NNMT
SCHEMBL31003114 0.78 MAPT (0.46) OPRK1KCNH2ACACBNAMPTDGAT1
SCHEMBL23148120 0.75 MAPK1 (0.54) OPRK1KCNH2ACACBDGAT1NNMT
SCHEMBL17220078 0.75 ACHE (0.49) ACACBPARP10

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
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 OPRK1 1/4885KCNH2 830/4885ACACB 2165/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 OPRK1 1/4885KCNH2 830/4885ACACB 2165/4885

“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.