SCHEMBL6969939

SCHEMBL6969939

Cc1ccc2c(c1)Nc1ccccc1CC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.62
GAA P10253 1/20 0.62
SIRT2 Q8IXJ6 2/20 0.50
NPC1 O15118 1/20 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
HTR5A P47898 2/20 0.46
CSNK1G1 Q9HCP0 1/20 0.45
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ROS1 P08922 1/20 0.43
CDK5 Q00535 1/20 0.43
ACVR1 Q04771 1/20 0.43

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
SCHEMBL30105853 1.00 MAPT (0.62) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL6966954 0.90 HTR5A (0.53) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL8133079 0.89 MEN1 (0.53) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL407439 0.81 NPC1 (0.70) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL25463085 0.78 HTR5A (0.44) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL11927572 0.77 HTR5A (0.53) MAPTGAAHTR5ACSNK1G1ALDH1A1
SCHEMBL19224992 0.77 MAPT (1.00) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL6964275 0.77 MAPT (0.62) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL29485904 0.77 MAPT (0.62) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL29485939 0.77 MAPT (0.62) MAPTMEN1KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6569849-B1 N-Substituted azaheterocyclic compounds NOVO NORDISK A/S (DK) 2003-05-27 US disclosed
EP-0934312-B1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK AS (DK) 2003-03-19 EP disclosed
US-6133268-A 1,4-disubstituted piperazines NOVO NORDISK A/S (DK) 2000-10-17 US disclosed
US-6040302-A ANTIINFLAMMATORY AGENTS TREATING RHEUMATOID ARTHRITIS, MIGRAINE OR ITCHING, INSULIN RESISTANCE IN NON-INSULIN-DEPENDENT DIABETES MELLITUS AND AGEING-ASSOCIATED OBESITY NOVO NORDISK A/S (DK) 2000-03-21 US disclosed
US-6004961-A ANTIINFLAMMATORY AGENTS, ANALGESICS; NON-INSULIN-DEPENDENT DIABETES; AGE-RELATED OBESITY; DIBENZO(D,G)(1,3,6)DIOXAZOCINE DERIVATIVES NOVO NORDISK A/S (DK) 1999-12-21 US disclosed
EP-0934306-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
EP-0934312-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
WO-1998015548-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed
WO-1998015546-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-04-16 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 MAPT 18/4885MEN1 1510/4885KMT2A 3744/4885
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP MAPT 18/4885MEN1 1461/4885KMT2A 3811/4885

“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.