SCHEMBL17723366

SCHEMBL17723366

CC[C@H](Nc1nnc(C(C)C)cc1C)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ EGFR P00533 2/20 0.38
▸ CYP2D6 P10635 3/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ PSEN1 P49768 3/20 0.36
▸ PSEN2 P49810 3/20 0.36
▸ APH1B Q8WW43 3/20 0.36
▸ NCSTN Q92542 3/20 0.36
▸ APH1A Q96BI3 3/20 0.36
▸ PSENEN Q9NZ42 3/20 0.36
▸ FAAH O00519 1/20 0.35
▸ RPS6KB1 P23443 2/20 0.35
▸ KRAS P01116 1/20 0.34
▸ SOS1 Q07889 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34

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
SCHEMBL17723386 1.00 HDAC6 (0.40) HDAC6MEN1KMT2AEGFRCYP2D6
SCHEMBL17723403 0.86 ATP1A1 (0.39) EGFRRPS6KB1
SCHEMBL17723357 0.86 ATP1A1 (0.39) EGFRRPS6KB1
SCHEMBL17723400 0.84 HDAC6 (0.40) HDAC6MEN1KMT2AEGFRCYP2D6
SCHEMBL17723401 0.78 HDAC6 (0.40) HDAC6MEN1KMT2AEGFRCYP2D6
SCHEMBL17723404 0.78 HDAC6 (0.40) HDAC6MEN1KMT2AEGFRCYP2D6
SCHEMBL17723351 0.78 PSEN1 (0.43) HDAC6MEN1KMT2AEGFRPSEN1
SCHEMBL17723417 0.73 PSEN1 (0.44) EGFRPSEN1PSEN2APH1BNCSTN
SCHEMBL17723384 0.73 PSEN1 (0.44) EGFRPSEN1PSEN2APH1BNCSTN
SCHEMBL21555165 0.72 ATP1A1 (0.41) EGFR

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 HDAC6 792/4885MEN1 4180/4885KMT2A 2542/4885
US-10472346-B2 Potent gamma-secretase modulators BACE1, BACE2, APP HDAC6 1908/4885MEN1 4248/4885KMT2A 3330/4885
US-11117884-B2 Potent gamma-secretase modulators BACE1, BACE2, GSAP HDAC6 792/4885MEN1 4180/4885KMT2A 2542/4885
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, APP HDAC6 1908/4885MEN1 4248/4885KMT2A 3330/4885

“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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