SCHEMBL17959934

SCHEMBL17959934

CC12CC1(CN)c1cc(OC(F)(F)F)ccc1O2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.40
BACE1 P56817 5/20 0.36
CTSD P07339 2/20 0.35
PPARA Q07869 5/20 0.34
PPARD Q03181 2/20 0.34
ABL1 P00519 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PPARG P37231 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
AMPD2 Q01433 1/20 0.31

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
SCHEMBL17974176 0.87 PPARA (0.36) SLC6A4BACE1CTSDPPARAPPARD
SCHEMBL17959922 0.79 PDE2A (0.30)
SCHEMBL17959881 0.79 SLC6A4 (0.34) SLC6A4
SCHEMBL17959929 0.78 CHRM5 (0.37) ABL1PSEN1PSEN2APH1BNCSTN
SCHEMBL17107598 0.74 PSEN1 (0.49) SLC6A4BACE1CTSDPPARAPPARD
SCHEMBL17107477 0.67 PSEN1 (0.49) SLC6A4BACE1CTSDPPARAPPARD
SCHEMBL17107509 0.67 PSEN1 (0.49) SLC6A4BACE1CTSDPPARAPPARD
SCHEMBL17966761 0.67 BACE1 (0.37) SLC6A4BACE1CTSDABL1KDM1A
SCHEMBL17974179 0.66 CCR6 (0.30)
SCHEMBL8802196 0.64 HIF1A (0.43) CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253755-B1 NOVEL CYCLOPROPABENZOFURANYL PYRIDOPYRAZINEDIONES PFIZER (US) 2020-08-26 EP disclosed
EP-3253755-B1 NOVEL CYCLOPROPABENZOFURANYL PYRIDOPYRAZINEDIONES PFIZER (US) 2020-08-26 EP disclosed
CN-107406445-B Cyclopropylbenzofuranyl pyridopyrazine diones 辉瑞公司 2019-12-24 CN disclosed
US-9765073-B2 Cyclopropabenzofuranyl pyridopyrazinediones PFIZER INC. (US) 2017-09-19 US disclosed
US-9765073-B2 Cyclopropabenzofuranyl pyridopyrazinediones PFIZER INC. (US) 2017-09-19 US disclosed
US-9765073-B2 Cyclopropabenzofuranyl pyridopyrazinediones PFIZER INC. (US) 2017-09-19 US disclosed
US-20170096428-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones PFIZER INC. 2017-04-06 US disclosed
US-20170096428-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones PFIZER INC. 2017-04-06 US disclosed
US-20170096428-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones PFIZER INC. 2017-04-06 US disclosed
WO-2016125048-A1 NOVEL CYCLOPROPABENZOFURANYL PYRIDOPYRAZINEDIONES PFIZER INC. (US) 2016-08-11 WO disclosed
US-20160222007-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones PFIZER (US) 2016-08-04 US disclosed
US-20160222007-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones PFIZER (US) 2016-08-04 US disclosed
US-20160222007-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones PFIZER (US) 2016-08-04 US 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-20160222007-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones CYP4B1, RXRB, ADRA2B SLC6A4 2629/4885BACE1 2997/4885CTSD 3024/4885
US-20170096428-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones CYP4B1, RXRB, ADRA2B SLC6A4 2629/4885BACE1 2997/4885CTSD 3024/4885

“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.