SCHEMBL4222142

SCHEMBL4222142

COc1cc(CCCN)ccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
ATM Q13315 1/20 0.58
TAAR1 Q96RJ0 3/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 2/20 0.53
GLA P06280 1/20 0.53
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
NFKB1 P19838 1/20 0.49
MEN1 O00255 1/20 0.47
APEX1 P27695 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP19A1 P11511 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44

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
SCHEMBL3780939 0.89 KDM4E (0.72) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL15760679 0.89 TUBB4A (0.53) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL17637575 0.87 TUBB4A (0.51) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL2468726 0.85 ATM (0.79) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL16900310 0.84 TUBB4A (0.49) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL12020315 0.84 SKP2 (0.53) KDM4EATMMAPK1CYP1A2CYP3A4
SCHEMBL23112136 0.82 KDM4E (0.58) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL19248448 0.82 KDM4E (0.58) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL23239959 0.82 CYP2C8 (0.47) KDM4EATMTAAR1TSHRMAPK1
SCHEMBL6173908 0.82 TNKS2 (0.57) KDM4EATMTAAR1TSHRMAPK1

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
US-7504420-B2 Compounds which inhibit beta-secretase activity and methods of use COMENTIS, INC. (US) 2009-03-17 US disclosed
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2008-07-24 US disclosed
EP-1871739-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2008-01-02 EP disclosed
US-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use ZAPAQ, INC. (US) 2007-05-24 US disclosed
WO-2006110668-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2006-10-19 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-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use BACE1, BACE2, APP KDM4E 2484/4885ATM 3727/4885TAAR1 4588/4885
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP KDM4E 2768/4885ATM 3871/4885TAAR1 4597/4885

“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.