SCHEMBL17107481

SCHEMBL17107481

CCOC(=O)C12CC1C(C)(C)Oc1ccc(C(F)(F)F)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
KCNH2 Q12809 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
F10 P00742 1/20 0.35
CNR2 P34972 2/20 0.34
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GRM1 Q13255 1/20 0.33

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
SCHEMBL17107547 0.74 BACE1 (0.39) POLBGAAKDM4ENPSR1ALDH1A1
SCHEMBL17123751 0.73 PSEN1 (0.47) CYP3A4CYP2C9CYP2C19CYP2C8CYP2D6
SCHEMBL17107530 0.71 PSEN1 (0.47) CYP3A4CYP2C9CYP2C19CYP2C8CYP2D6
SCHEMBL4520334 0.67 CXCR5 (0.43) CYP2C9CYP2C19POLBGAANPSR1
SCHEMBL11076947 0.67 ADAM17 (0.47) POLBGAAKDM4ENPSR1ALDH1A1
SCHEMBL4795023 0.66 CXCR5 (0.42) CYP2C9CYP2C19POLBGAANPSR1
SCHEMBL4795018 0.66 CXCR5 (0.42) CYP2C9CYP2C19POLBGAANPSR1
SCHEMBL6072879 0.66 ALDH1A1 (0.40) CYP2C9CYP2C19POLBGAANPSR1
SCHEMBL13360618 0.65 DPP7 (0.41) CYP2C9CYP2C19POLBGAAKDM4E
SCHEMBL6072885 0.65 CETP (0.39) CYP2C9CYP2C19POLBGAANPSR1

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 11 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
EP-3126361-A1 CHROMENE AND 1,1 A,2,7B-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2017-02-08 EP 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
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 CYP3A4 41/4885CYP2C9 69/4885CYP2C19 54/4885
US-20170166566-A1 SUBSTITUTED PYRIDO[1,2-a]PYRAZINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, PRNP, MAOB CYP3A4 792/4885CYP2C9 1175/4885CYP2C19 625/4885

“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.