SCHEMBL9108966

SCHEMBL9108966

Nc1ccc(C2CCC2)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
HDAC1 Q13547 6/20 0.41
HDAC2 Q92769 6/20 0.41
HDAC3 O15379 1/20 0.41
ACMSD Q8TDX5 2/20 0.39
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 2/20 0.38
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HTR1D P28221 1/20 0.36

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
SCHEMBL29653784 1.00 BACE1 (0.44) BACE1HDAC1HDAC2HDAC3ACMSD
SCHEMBL15156130 0.95 BACE1 (0.49) BACE1HDAC1HDAC2HDAC3ACMSD
SCHEMBL3985023 0.93 BACE1 (0.51) BACE1HDAC1HDAC2HDAC3ACMSD
SCHEMBL843886 0.91 HDAC1 (0.44) BACE1HDAC1HDAC2HDAC3ACMSD
SCHEMBL22298075 0.81 CYP3A4 (0.45) BACE1HDAC1HDAC2HDAC3ACMSD
SCHEMBL3789570 0.81 SLC6A2 (0.46) BACE1HDAC1HDAC2HDAC3ACMSD
SCHEMBL1971575 0.81 ALDH1A1 (0.45) BACE1HDAC1HDAC2HDAC3ACMSD
SCHEMBL20870431 0.81 HDAC1 (0.41) BACE1HDAC1HDAC2HDAC3ACMSD
SCHEMBL15157184 0.81 HTR1D (0.38) BACE1HDAC1HDAC2HDAC3TDP1
SCHEMBL3784040 0.81 SLC6A2 (0.46) BACE1HDAC1HDAC2HDAC3ACMSD

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240051970-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2024-02-15 US disclosed
CN-117321048-A Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2023-12-29 CN disclosed
WO-2022133098-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-06-23 WO disclosed
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
US-20180280422-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2018-10-04 US disclosed
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 EP disclosed
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 EP disclosed
CN-103391939-B As the purine be substituted and the 7-azapurine compound of epigenetic enzyme conditioning agent Epizyme, Inc. (US) 2016-03-09 CN disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
CN-103391939-A Substituted purine and 7 - deazapurine compounds as modulators of epigenetic enzymes EPIZYME INC 2013-11-13 CN disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
EP-2646444-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2013-10-09 EP disclosed
WO-2012075381-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2012-06-07 WO disclosed
WO-2012075381-A1 SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES Epizyme, Inc. (US) 2012-06-07 WO disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 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 (5 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-20180280422-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 BACE1 3466/4885HDAC1 877/4885HDAC2 1661/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 BACE1 3466/4885HDAC1 877/4885HDAC2 1661/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 BACE1 3466/4885HDAC1 877/4885HDAC2 1661/4885
US-20240051970-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 BACE1 1314/4885HDAC1 2416/4885HDAC2 2006/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 BACE1 3466/4885HDAC1 877/4885HDAC2 1661/4885

“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.