SCHEMBL18173750

SCHEMBL18173750

CC#Cc1c[nH]c2ccc([C@]3(C)CC(=O)N(C)C(=N)N3)cc12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.35
CTSD P07339 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.34
CYP19A1 P11511 1/20 0.33

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
SCHEMBL20378638 1.00 BACE1 (0.35) BACE1CTSDBACE2CYP19A1
SCHEMBL7541520 0.83 CYP19A1 (0.33) CYP19A1
SCHEMBL18180617 0.79 BACE1 (0.43) BACE1CTSDBACE2
SCHEMBL7555120 0.79 RIPK1 (0.38)
SCHEMBL20378647 0.79 BACE1 (0.43) BACE1CTSDBACE2
SCHEMBL20378585 0.77 BACE1 (0.45) BACE1CTSDBACE2CYP19A1
SCHEMBL18180670 0.77 BACE1 (0.45) BACE1CTSDBACE2CYP19A1
SCHEMBL30105911 0.77 BACE1 (0.45) BACE1CTSDBACE2CYP19A1
SCHEMBL7547230 0.77 CYP2D6 (0.42) CYP19A1
SCHEMBL18173748 0.77 BACE1 (0.43) BACE1CTSDBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2018-07-19 US claimed
EP-3250035-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS Allgenesis Biotherapeutics Inc. (TW) 2017-12-06 EP claimed
WO-2016172255-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2016-10-27 WO claimed
US-10870635-B2 Compounds and their use as BACE1 inhibitors ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2020-12-22 US 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
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2018-07-19 US disclosed
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2018-07-19 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 (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 BACE1 1/4885CTSD 182/4885BACE2 2/4885
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP BACE1 1/4885CTSD 176/4885BACE2 2/4885

“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.