SCHEMBL17723405

SCHEMBL17723405

Cc1cc(C(C)C)nnc1N[C@@H](C)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.41
▸ CNR2 P34972 4/20 0.41
▸ LDHA P00338 2/20 0.41
▸ LDHB P07195 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ ATP1A1 P05023 1/20 0.36
▸ ATP1B1 P05026 1/20 0.36
▸ ATP1A3 P13637 1/20 0.36
▸ ATP1B2 P14415 1/20 0.36
▸ ATP1A2 P50993 1/20 0.36
▸ ATP1B3 P54709 1/20 0.36
▸ FXYD2 P54710 1/20 0.36
▸ ATP1A4 Q13733 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ P2RX3 P56373 2/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 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
SCHEMBL17723402 1.00 CNR1 (0.41) CNR1CNR2LDHALDHBALDH1A1
SCHEMBL21555164 0.86 LDHA (0.41) CNR1CNR2LDHALDHBALDH1A1
SCHEMBL21734351 0.86 LDHA (0.41) CNR1CNR2LDHALDHBALDH1A1
SCHEMBL17723372 0.85 EGFR (0.44) ALDH1A1GAAHTTPSEN1PSEN2
SCHEMBL17723397 0.85 EGFR (0.44) ALDH1A1GAAHTTPSEN1PSEN2
SCHEMBL17723357 0.83 ATP1A1 (0.39) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL17723403 0.83 ATP1A1 (0.39) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL17723406 0.81 CNR1 (0.46) CNR1CNR2P2RX3
SCHEMBL17723459 0.81 CNR1 (0.46) CNR1CNR2P2RX3
SCHEMBL17723417 0.77 PSEN1 (0.44) ALDH1A1ATP1A1ATP1B1ATP1A3ATP1B2

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 3 patents. 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
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS THE GENERAL HOSPITAL CORPORATION 2018-04-05 — — US disclosed
WO-2016070107-A1 POTENT GAMMA-SECRETASE MODULATORS THE GENERAL HOSPITAL CORPORATION (US) 2016-05-06 — — 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 (2 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 CNR1 505/4885CNR2 1235/4885LDHA 3346/4885
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, APP CNR1 505/4885CNR2 1235/4885LDHA 3346/4885

“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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