SCHEMBL17107477

SCHEMBL17107477

CC1(C)Oc2ccc(OC(F)(F)F)cc2C2(CBr)CC12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
BACE1 P56817 4/20 0.33
CTSD P07339 2/20 0.33
PPARA Q07869 4/20 0.32
PPARD Q03181 2/20 0.32
SLC6A4 P31645 2/20 0.31
TMEM97 Q5BJF2 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
SCHEMBL17107509 0.88 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17107598 0.88 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17107525 0.70 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17123751 0.69 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17107530 0.69 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17959934 0.67 SLC6A4 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17974176 0.67 PPARA (0.36) BACE1CTSDPPARAPPARDSLC6A4
SCHEMBL7870442 0.64 KCNE1 (0.36) CYP3A4CYP2D6KCNH2BACE1CTSD
SCHEMBL8803932 0.63 KCNE1 (0.42) KCNH2BACE1CTSDSLC6A4PTGS1
SCHEMBL9032517 0.63 KCNE1 (0.42) KCNH2BACE1CTSDSLC6A4PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3126361-B1 CHROMENE AND 1,1A,2,7B-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-11-06 EP disclosed
EP-3126361-B1 CHROMENE AND 1,1A,2,7B-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-11-06 EP disclosed
US-20170166566-A1 SUBSTITUTED PYRIDO[1,2-a]PYRAZINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PFIZER (US) 2017-06-15 US disclosed
US-20170166566-A1 SUBSTITUTED PYRIDO[1,2-a]PYRAZINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PFIZER (US) 2017-06-15 US disclosed
US-20170166566-A1 SUBSTITUTED PYRIDO[1,2-a]PYRAZINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PFIZER (US) 2017-06-15 US disclosed
WO-2015150957-A1 CHROMENE AND 1,1 A,2,7B-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-10-08 WO disclosed
US-20150274721-A1 NOVEL CHROMENE AND 1,1a,2,7b-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES PFIZER (US) 2015-10-01 US disclosed
US-20150274721-A1 NOVEL CHROMENE AND 1,1a,2,7b-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES PFIZER (US) 2015-10-01 US disclosed
US-20150274721-A1 NOVEL CHROMENE AND 1,1a,2,7b-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES PFIZER (US) 2015-10-01 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-20150274721-A1 NOVEL CHROMENE AND 1,1a,2,7b-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES CYP4B1, CTRB1, CTRB2 PSEN1 2426/4885PSEN2 2339/4885APH1B 2925/4885
US-20170166566-A1 SUBSTITUTED PYRIDO[1,2-a]PYRAZINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, PRNP, MAOB PSEN1 8/4885PSEN2 6/4885APH1B 638/4885

“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.