SCHEMBL795203

SCHEMBL795203

O=C(O)C1CC(Oc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A3 Q01959 2/20 0.52
HRH1 P35367 1/20 0.46
GRIN1 Q05586 2/20 0.44
GRIN2B Q13224 2/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C1 Q04828 1/20 0.43
EPHX2 P34913 1/20 0.42
IDH1 O75874 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACSL1 P33121 2/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40

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
SCHEMBL26857799 0.87 AKR1C3 (0.51) SLC6A4SLC6A2SLC6A3HRH1AKR1C3
SCHEMBL10188580 0.84 FFAR4 (0.52) SLC6A4SLC6A2SLC6A3AKR1C3AKR1C1
SCHEMBL31381195 0.83 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3EPHX2ALDH1A1
SCHEMBL31381274 0.83 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3EPHX2ALDH1A1
SCHEMBL16468399 0.83 POLB (0.46) SLC6A4SLC6A2SLC6A3EPHX2ALDH1A1
SCHEMBL16468397 0.83 POLB (0.46) SLC6A4SLC6A2SLC6A3EPHX2ALDH1A1
SCHEMBL30929559 0.83 GRIN1 (0.46) SLC6A4SLC6A2SLC6A3GRIN1GRIN2B
SCHEMBL1749499 0.82 ACSL1 (0.56) SLC6A4SLC6A2SLC6A3HRH1AKR1C3
SCHEMBL17802808 0.82 SLC6A3 (0.47) SLC6A4SLC6A2SLC6A3HRH1GRIN1
SCHEMBL15463242 0.81 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3226688-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME (US) 2020-07-01 EP disclosed
EP-3226688-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME (US) 2020-07-01 EP disclosed
US-10442819-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes MERCK SHARP & DOHME CORP. (US) 2019-10-15 US disclosed
US-10442819-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes MERCK SHARP & DOHME CORP. (US) 2019-10-15 US disclosed
US-20170369507-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
US-20170369507-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
EP-3226688-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES Merck Sharp & Dohme Corp. (US) 2017-10-11 EP disclosed
WO-2016089797-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
WO-2016089797-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2016-06-09 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 (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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SLC6A4 1854/4885SLC6A2 2271/4885SLC6A3 2729/4885
US-10442819-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes IDH3A, IDH2, IDH3B SLC6A4 4138/4885SLC6A2 4524/4885SLC6A3 3742/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SLC6A4 1854/4885SLC6A2 2271/4885SLC6A3 2729/4885
US-20170369507-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES IDH3A, IDH3B, IDH2 SLC6A4 4046/4885SLC6A2 4479/4885SLC6A3 3654/4885

“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.