SCHEMBL17107455

SCHEMBL17107455

OCc1coc2ccc(C(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.44
▸ TP53 P04637 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MTNR1B P49286 1/20 0.40
▸ PPARD Q03181 3/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ PPARG P37231 1/20 0.36

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
SCHEMBL16619764 0.83 TP53 (0.43) MAOBTP53MAPTSMN1; SMN2MTNR1B
SCHEMBL21116465 0.83 TP53 (0.46) MAOBTP53MAPTSMN1; SMN2MTNR1B
SCHEMBL18015849 0.81 MTNR1A (0.45) TP53MAPTSMN1; SMN2MTNR1BHTR1A
SCHEMBL21116466 0.81 TP53 (0.46) MAOBTP53MAPTSMN1; SMN2MTNR1B
SCHEMBL18014739 0.81 TP53 (0.41) MAOBTP53MAPTSMN1; SMN2MTNR1B
SCHEMBL4996843 0.77 MAOB (0.47) MAOBTP53HTR1AHTR1DHTR2C
SCHEMBL27279621 0.75 MAOB (0.49) MAOBTP53MAPTSMN1; SMN2HTR1A
SCHEMBL30956100 0.74 TP53 (0.40) MAOBTP53MAPTSMN1; SMN2MTNR1B
SCHEMBL17324189 0.74 MTNR1A (0.40) MAOBTP53MAPTSMN1; SMN2MTNR1B
SCHEMBL20274083 0.74 EPHX2 (0.41) MAOBTP53MAPTSMN1; SMN2EPHX2

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-3126361-B1 CHROMENE AND 1,1A,2,7B-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-11-06 — — EP 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-20170166566-A1 SUBSTITUTED PYRIDO[1,2-a]PYRAZINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PFIZER (US) 2017-06-15 — — 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
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-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
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

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-20150274721-A1 NOVEL CHROMENE AND 1,1a,2,7b-TETRAHYDROCYCLOPROPA[C]CHROMENE PYRIDOPYRAZINEDIONES CYP4B1, CTRB1, CTRB2 MAOB 55/4885TP53 1722/4885MAPT 4078/4885
US-20160222007-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones CYP4B1, RXRB, ADRA2B MAOB 30/4885TP53 2026/4885MAPT 2441/4885
US-20170166566-A1 SUBSTITUTED PYRIDO[1,2-a]PYRAZINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, PRNP, MAOB MAOB 3/4885TP53 836/4885MAPT 94/4885
US-20170096428-A1 Novel Cyclopropabenzofuranyl Pyridopyrazinediones CYP4B1, RXRB, ADRA2B MAOB 30/4885TP53 2026/4885MAPT 2441/4885

“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.

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