SCHEMBL18173665

SCHEMBL18173665

c1ccc2c(c1)CCc1cnccc1N2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
IDO1 P14902 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR5A P47898 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39

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
SCHEMBL15985206 0.89 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL18173663 0.85 MAPT (0.49) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL407439 0.81 NPC1 (0.70) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL25463175 0.79 HTR5A (0.41) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL25463085 0.78 HTR5A (0.44) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL7097550 0.77 CYP11B1 (0.56) NPC1MAPTMEN1KMT2AGAA
SCHEMBL3462883 0.77 CYP11B1 (0.56) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL31050976 0.74 MAPT (0.59) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL25463178 0.74 HTR5A (0.40) MAPTGAAIDO1L3MBTL1CHRNB2
SCHEMBL25463086 0.74 CHRNB2 (0.36) MAPTMEN1KMT2AGAAKDM4E

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
EP-3250035-B1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS INC (TW) 2023-01-25 EP disclosed
US-10870635-B2 Compounds and their use as BACE1 inhibitors ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2020-12-22 US disclosed
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2018-07-19 US disclosed
EP-3250035-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS Allgenesis Biotherapeutics Inc. (TW) 2017-12-06 EP disclosed
WO-2016172255-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2016-10-27 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-10870635-B2 Compounds and their use as BACE1 inhibitors BACE1, BACE2, APP NPC1 1109/4885MAPK13 2606/4885MAPK12 2609/4885
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP NPC1 1068/4885MAPK13 2782/4885MAPK12 2596/4885

“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.