SCHEMBL796623

SCHEMBL796623

O=C(O)N1CCC(COCC2CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
PTGIR P43119 2/20 0.33
PTGDR Q13258 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3160989 0.90 TACR3 (0.36) ALDH1A1ITGB3ITGA2BSLC1A3SLC1A2
SCHEMBL27150060 0.87 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL21070177 0.85 ALDH1A1 (0.35) ALDH1A1ITGB3ITGA2BHTR2AHTR2C
SCHEMBL21070736 0.83 DRD2 (0.34) ALDH1A1ITGB3ITGA2BSLC1A3SLC1A2
SCHEMBL27499948 0.82 DRD2 (0.36) ALDH1A1ITGB3ITGA2BHTR2AHTR2C
SCHEMBL15477299 0.82 CYP2C9 (0.35) ALDH1A1ITGB3ITGA2BHTR2B
SCHEMBL26923888 0.82 TSHR (0.40) ALDH1A1ITGB3ITGA2BHTR2AHTR2C
SCHEMBL797393 0.82 KMT2A (0.42)
SCHEMBL8222331 0.82 GAA (0.37) ALDH1A1ITGB3ITGA2BSLC1A3SLC1A2
SCHEMBL6134733 0.81 ALDH1A1 (0.38) ALDH1A1HTR2AHTR2CHTR2BSIGMAR1

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 ALDH1A1 439/4885ITGB3 655/4885ITGA2B 1201/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885ITGB3 655/4885ITGA2B 1201/4885

“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.