SCHEMBL21555164

SCHEMBL21555164

Cc1cc(C)c(N[C@H](C)c2ccc(Cl)cc2)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 2/20 0.41
▸ CNR1 P21554 4/20 0.39
▸ CNR2 P34972 4/20 0.39
▸ LDHB P07195 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ ATP1A1 P05023 1/20 0.37
▸ ATP1B1 P05026 1/20 0.37
▸ ATP1A3 P13637 1/20 0.37
▸ ATP1B2 P14415 1/20 0.37
▸ ATP1A2 P50993 1/20 0.37
▸ ATP1B3 P54709 1/20 0.37
▸ FXYD2 P54710 1/20 0.37
▸ ATP1A4 Q13733 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL21734351 1.00 LDHA (0.41) LDHACNR1CNR2LDHBPSEN1
SCHEMBL17723402 0.86 CNR1 (0.41) LDHACNR1CNR2LDHBPSEN1
SCHEMBL17723405 0.86 CNR1 (0.41) LDHACNR1CNR2LDHBPSEN1
SCHEMBL21734119 0.81 ATP1A1 (0.41) ALDH1A1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL21555165 0.81 ATP1A1 (0.41) ALDH1A1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL20021996 0.76 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8058012 0.76 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21555167 0.74 ENPP2 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17723460 0.74 ENPP2 (0.39) LDHACNR1CNR2LDHBPSEN1
SCHEMBL17723362 0.74 ENPP2 (0.39) LDHACNR1CNR2LDHBPSEN1

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-10472346-B2 Potent gamma-secretase modulators THE GENERAL HOSPITAL CORPORATION (US) 2019-11-12 — — 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-10472346-B2 Potent gamma-secretase modulators BACE1, BACE2, APP LDHA 3346/4885CNR1 505/4885CNR2 1235/4885

“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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