SCHEMBL18173633

SCHEMBL18173633

COc1cccc2cc([C@]3(C)CC(=O)N(C)C(=N)N3)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
ADORA2A P29274 3/20 0.41
ADORA2B P29275 2/20 0.41
ADORA1 P30542 2/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 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
SCHEMBL20378630 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AADORA2AADORA2BADORA1
SCHEMBL20378613 0.86 MAOA (0.37) ADORA2AADORA1CA12CA1CA2
SCHEMBL18173731 0.86 MAOA (0.37) ADORA2AADORA1CA12CA1CA2
SCHEMBL20383962 0.85 LOXL2 (0.36) ADORA2AADORA2BADORA1CA12CA1
SCHEMBL18180649 0.85 BACE1 (0.33) ADORA2AADORA1CA12CA1CA2
SCHEMBL20378523 0.85 BACE1 (0.33) ADORA2AADORA1CA12CA1CA2
SCHEMBL20378672 0.83 CA12 (0.43) ALDH1A1KMT2AADORA2AADORA2BADORA1
SCHEMBL18173611 0.83 CA12 (0.43) ALDH1A1KMT2AADORA2AADORA2BADORA1
SCHEMBL20378670 0.83 CA12 (0.43) ALDH1A1KMT2AADORA2AADORA2BADORA1
SCHEMBL18180733 0.79 ALDH1A1 (0.39) ALDH1A1KMT2AADORA2AADORA2BADORA1

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 12 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
CN-107613771-B Compounds and their use as beta-secretase 1 inhibitors 新源生物科技股份有限公司 2020-12-15 CN 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
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
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 ALDH1A1 2022/4885KMT2A 3744/4885ADORA2A 4393/4885
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP ALDH1A1 2025/4885KMT2A 3811/4885ADORA2A 4336/4885

“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.