SCHEMBL797242

SCHEMBL797242

CCC[S+]([O-])C1CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.32
GNAO1 P09471 6/20 0.32
GNAI1 P63096 6/20 0.32

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
Hydrochloric Acid SCHEMBL17220362 0.98 GNAO1 (0.35) GNAI3GNAO1GNAI1
SCHEMBL23706554 0.84
SCHEMBL23706626 0.79
SCHEMBL6121305 0.69
SCHEMBL23706632 0.68 TSHR (0.32)
SCHEMBL23706602 0.67 TSHR (0.36) GNAI3GNAO1GNAI1
SCHEMBL23706681 0.65 CYP1A2 (0.32)
SCHEMBL23706687 0.64 TSHR (0.33)
SCHEMBL21865930 0.64 GNAO1 (0.36) GNAI3GNAO1GNAI1
SCHEMBL797241 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GNAI3 750/4885GNAO1 1140/4885GNAI1 904/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 GNAI3 750/4885GNAO1 1140/4885GNAI1 904/4885

“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.