SCHEMBL18015902

SCHEMBL18015902

CCc1nn(CC)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
BRD9 Q9H8M2 1/20 0.41
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
AKR1B1 P15121 2/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
KIF11 P52732 1/20 0.36
PKM P14618 1/20 0.36
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL18014728 0.87 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5583119 0.82 CCR2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17968831 0.82 BRD9 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21334032 0.80 KDM4E (0.41) AKR1B1ADORA2AADORA2BMAPT
SCHEMBL16619485 0.78 CCR2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2661006 0.77 CCR2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3342722 0.76 KDM4E (0.45) ADORA2AADORA2BMAPT
SCHEMBL25886396 0.76 ADORA2A (0.40) AKR1B1ADORA2AADORA2BMAPTPTGDR2
Ammonia Solution, Strong SCHEMBL905946 0.75 KIF11 (0.42) BRD9DRD2ADORA2AADORA2BKIF11
SCHEMBL13106220 0.74 KIF11 (0.46) KIF11RORARORCRORBHEXA

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 2 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
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 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 (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 PSEN1 4/4885PSEN2 3/4885APH1B 7/4885

“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.