SCHEMBL20021996

SCHEMBL20021996

Cc1cc(C)c(N[C@H](C)c2cc(F)cc(F)c2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 4/20 0.47
▸ PSEN2 P49810 4/20 0.47
▸ APH1B Q8WW43 4/20 0.47
▸ NCSTN Q92542 4/20 0.47
▸ APH1A Q96BI3 4/20 0.47
▸ PSENEN Q9NZ42 4/20 0.47
▸ APP P05067 2/20 0.47
▸ PDPK1 O15530 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ SOS1 Q07889 8/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ EGFR P00533 2/20 0.34
▸ KRAS P01116 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ATP1A1 P05023 1/20 0.32
▸ ATP1B1 P05026 1/20 0.32
▸ ATP1A3 P13637 1/20 0.32
▸ ATP1B2 P14415 1/20 0.32

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
SCHEMBL17723384 0.86 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17723417 0.86 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021872 0.84 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21734097 0.84 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21555156 0.77 SOS1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21555157 0.77 SOS1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21555164 0.76 LDHA (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21734351 0.76 LDHA (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17723410 0.75 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17723860 0.75 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS THE GENERAL HOSPITAL CORPORATION 2018-04-05 — — 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-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, APP PSEN1 4/4885PSEN2 7/4885APH1B 8/4885

“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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