SCHEMBL796185

SCHEMBL796185

FC(F)(F)COC[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
FUCA1 P04066 2/20 0.43
LMNA P02545 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL15477239 1.00 KDM4E (0.44) KDM4EALDH1A1ATMSIGMAR1FUCA1
SCHEMBL24214192 1.00 KDM4E (0.44) KDM4EALDH1A1ATMSIGMAR1FUCA1
SCHEMBL17220109 0.86 SIGMAR1 (0.42) KDM4EALDH1A1ATMSIGMAR1FUCA1
SCHEMBL17220110 0.86 SIGMAR1 (0.42) KDM4EALDH1A1ATMSIGMAR1FUCA1
SCHEMBL17220185 0.79 SIGMAR1 (0.52) SIGMAR1FUCA1DRD2HTR2AHTR2C
SCHEMBL17220186 0.79 SIGMAR1 (0.52) SIGMAR1FUCA1DRD2HTR2AHTR2C
SCHEMBL16826746 0.76 FUCA1 (0.47) KDM4EALDH1A1ATMSIGMAR1FUCA1
SCHEMBL17220060 0.76 S1PR5 (0.49) FUCA1
SCHEMBL17220061 0.76 S1PR5 (0.49) FUCA1
SCHEMBL16775256 0.74 FUCA1 (0.64) ALDH1A1SIGMAR1FUCA1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
WO-2022015977-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 WO disclosed
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 (3 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 KDM4E 3067/4885ALDH1A1 439/4885ATM 3255/4885
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 KDM4E 3761/4885ALDH1A1 4654/4885ATM 110/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KDM4E 3067/4885ALDH1A1 439/4885ATM 3255/4885

“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.