SCHEMBL17723376

SCHEMBL17723376

C[C@H](Nc1ccc(Cl)nn1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ NUDT1 P36639 1/20 0.45
▸ GAA P10253 3/20 0.45
▸ MAPT P10636 1/20 0.44
▸ MAP4K4 O95819 1/20 0.43
▸ KCNN3 Q9UGI6 1/20 0.43
▸ ATP1A1 P05023 3/20 0.41
▸ ATP1B1 P05026 3/20 0.41
▸ ATP1A3 P13637 3/20 0.41
▸ ATP1B2 P14415 3/20 0.41
▸ ATP1A2 P50993 3/20 0.41
▸ ATP1B3 P54709 3/20 0.41
▸ FXYD2 P54710 3/20 0.41
▸ ATP1A4 Q13733 3/20 0.41
▸ P2RX7 Q99572 2/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTR7 P34969 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8051390 0.83 GPR55 (0.47) ALDH1A1GAAMAPTATP1A1ATP1B1
SCHEMBL8038836 0.82 NPC1 (0.48) ALDH1A1GAAMAPTHTR7
SCHEMBL8038833 0.80 PDE2A (0.44) ALDH1A1GAAMAPTATP1A1ATP1B1
SCHEMBL8038839 0.78 NPC1 (0.46) ALDH1A1GAAMAPTMAP4K4
SCHEMBL12411080 0.77 GAA (0.54) ALDH1A1GAAMAPTLMNAPOLB
SCHEMBL1991252 0.73 CSF1R (0.62) NUDT1KCNN3KDM4E
SCHEMBL4375466 0.73 HTR7 (0.58) NUDT1MAP4K4HTR7
SCHEMBL21593091 0.73 HTR7 (0.58) NUDT1MAP4K4HTR7
SCHEMBL9788711 0.73 NUDT1 (0.54) ALDH1A1NUDT1MAP4K4KCNN3HTR7
SCHEMBL1678955 0.73 CSF1R (0.62) NUDT1KCNN3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117884-B2 Potent gamma-secretase modulators THE GENERAL HOSPITAL CORPORATION (US) 2021-09-14 — — US disclosed
US-20200055840-A1 POTENT GAMMA-SECRETASE MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-20 — — US disclosed
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 (4 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-20200055840-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, GSAP ALDH1A1 2818/4885NUDT1 4091/4885GAA 28/4885
US-10472346-B2 Potent gamma-secretase modulators BACE1, BACE2, APP ALDH1A1 2207/4885NUDT1 4482/4885GAA 264/4885
US-11117884-B2 Potent gamma-secretase modulators BACE1, BACE2, GSAP ALDH1A1 2818/4885NUDT1 4091/4885GAA 28/4885
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, APP ALDH1A1 2207/4885NUDT1 4482/4885GAA 264/4885

“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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