SCHEMBL16619429

SCHEMBL16619429

OCCNCc1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
USP28 Q96RU2 2/20 0.51
USP25 Q9UHP3 2/20 0.51
HTT P42858 1/20 0.50
TAAR1 Q96RJ0 2/20 0.49
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MTOR P42345 1/20 0.43

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
SCHEMBL10859843 0.86 PDCD1 (0.53) PDCD1CD274SMN1; SMN2
SCHEMBL1420648 0.84 CYP1A2 (0.62) CYP1A2CYP2D6CYP2C19TAAR1SMN1; SMN2
SCHEMBL5275606 0.81 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C19TAAR1
SCHEMBL6183546 0.81 CYP1A2 (0.76) CYP1A2CYP2D6CYP2C19TAAR1KDM4E
SCHEMBL19524534 0.80 GAA (0.63) CYP1A2CYP2D6CYP2C19TAAR1
SCHEMBL31393518 0.80 FFAR1 (0.59) CYP1A2CYP2D6CYP2C19KDM4EMTOR
SCHEMBL2670053 0.79 SLC2A4 (0.59) CYP1A2PDCD1CD274SMN1; SMN2KDM4E
SCHEMBL19633152 0.79 CYP1A2 (0.88) CYP1A2CYP2D6CYP2C19TAAR1SMN1; SMN2
SCHEMBL3360339 0.79 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C19TAAR1KDM4E
SCHEMBL24257042 0.78 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C19TAAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
EP-3052495-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2016-08-10 EP disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 WO disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 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 (1 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 CYP1A2 789/4885CYP2D6 852/4885CYP2C19 388/4885

“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.