SCHEMBL18173731

SCHEMBL18173731

CN1C(=N)N[C@](C)(c2cc3cccc(O)c3o2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
LCK P06239 1/20 0.36
ADORA2A P29274 5/20 0.34
ADORA1 P30542 5/20 0.34
ADORA3 P0DMS8 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TMIGD3 P0DMS9 2/20 0.34
AKR1C3 P42330 5/20 0.33
AR P10275 2/20 0.33
CBR1 P16152 1/20 0.33
DNM2 P50570 1/20 0.33
GAPDH P04406 1/20 0.32

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
SCHEMBL20378613 1.00 MAOA (0.37) MAOAMAOBLCKADORA2AADORA1
SCHEMBL18173633 0.86 ALDH1A1 (0.41) ADORA2AADORA1ADORA3CA12CA1
SCHEMBL20378630 0.86 ALDH1A1 (0.41) ADORA2AADORA1ADORA3CA12CA1
SCHEMBL20383962 0.80 LOXL2 (0.36) ADORA2AADORA1ADORA3CA12CA1
SCHEMBL20378523 0.79 BACE1 (0.33) ADORA2AADORA1ADORA3CA12CA1
SCHEMBL18180649 0.79 BACE1 (0.33) ADORA2AADORA1ADORA3CA12CA1
SCHEMBL7570679 0.73 ALDH1A1 (0.33) AR
SCHEMBL7561115 0.72 CYP19A1 (0.32)
SCHEMBL14105295 0.72 CYP19A1 (0.32)
SCHEMBL18173611 0.71 CA12 (0.43) ADORA2AADORA1CA12CA1CA2

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 MAOA 732/4885MAOB 442/4885LCK 1263/4885
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP MAOA 666/4885MAOB 365/4885LCK 1247/4885

“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.