SCHEMBL2123374

SCHEMBL2123374

C1CNC(N2CCCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MBTD1 Q05BQ5 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 3/20 0.30
NOS2 P35228 2/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6641039 1.00 MEN1 (0.38) MEN1KMT2AHTR6KDM4EALDH1A1
SCHEMBL14628579 1.00 MEN1 (0.38) MEN1KMT2AHTR6KDM4EALDH1A1
SCHEMBL1202752 0.97 MEN1 (0.36) MEN1KMT2AHTR6KDM4EALDH1A1
SCHEMBL3420145 0.95
SCHEMBL9388849 0.92 HTR6 (0.40) MEN1KMT2AHTR6KDM4EALDH1A1
SCHEMBL9632289 0.92 KDM4E (0.38) MEN1KMT2AHTR6KDM4EALDH1A1
SCHEMBL22628194 0.92 HTR6 (0.40) MEN1KMT2AHTR6KDM4EALDH1A1
SCHEMBL1181468 0.92 HTR6 (0.40) MEN1KMT2AHTR6KDM4EALDH1A1
SCHEMBL5241137 0.90 HTR6 (0.39) MEN1KMT2AHTR6KDM4EALDH1A1
SCHEMBL6817248 0.90 HTR6 (0.39) MEN1KMT2AHTR6KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326846-A4 PROCESS FOR PREPARATION OF INTEGRIN RECEPTOR ANTAGONIST INTERMEDIATES MERCK & CO INC (US) 2004-04-21 EP claimed
US-20040030134-A1 Process for preparation of integrin receptor antagonist intermediates MERCK & CO., INC. 2004-02-12 US claimed
EP-1326846-A1 PROCESS FOR PREPARATION OF INTEGRIN RECEPTOR ANTAGONIST INTERMEDIATES Merck & Co., Inc. (US) 2003-07-16 EP claimed
CN-1092696-C Chemical Mechanical Polishing Composition CHANGXING CHEMICAL IND CO LTD (CN) 2002-10-16 CN claimed
WO-2002028840-A1 PROCESS FOR PREPARATION OF INTEGRIN RECEPTOR ANTAGONIST INTERMEDIATES MERCK & CO., INC. (US) 2002-04-11 WO claimed
US-11814447-B2 Peptide ligands for binding to EphA2 Bicyclerd Limited (GB) 2023-11-14 US disclosed
EP-3083646-A1 PHOSPHINYL FORMAMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2016-10-26 EP disclosed
WO-2015094207-A1 PHOSPHINYL FORMAMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-06-25 WO disclosed
EP-2858750-A1 PHOSPHINYL GUANIDINE COMPOUNDS, METAL SALT COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2015-04-15 EP disclosed
EP-2797862-A1 OLEFIN OLIGOMERIZATION METHODS Chevron Phillips Chemical Company LP (US) 2014-11-05 EP disclosed
EP-2791091-A1 PREPARATION OF TRANSITION METAL CARBOXYLATES Chevron Phillips Chemical Company LP (US) 2014-10-22 EP disclosed
EP-2790828-A1 PREPARATION OF AN OLEFIN OLIGOMERIZATION CATALYST Chevron Phillips Chemical Company LP (US) 2014-10-22 EP disclosed
WO-2013089963-A1 PREPARATION OF TRANSITION METAL CARBOXYLATES CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2013-06-20 WO disclosed
EP-2519532-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2012-11-07 EP disclosed
WO-2012092415-A1 OLEFIN OLIGOMERIZATION CATALYSTS AND METHODS OF MAKING AND USING SAME CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2012-07-05 WO disclosed
EP-2443160-A1 OLIGOMERIZATION OF ALPHA OLEFINS USING METALLOCENE-SSA CATALYST SYSTEMS AND USE OF THE RESULTANT POLYALPHAOLEFINS TO PREPARE LUBRICANT BLENDS Chevron Phillips Chemical Company LP (US) 2012-04-25 EP disclosed
WO-2011082192-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-07-07 WO disclosed
WO-2010147993-A1 OLIGOMERIZATION OF ALPHA OLEFINS USING METALLOCENE-SSA CATALYST SYSTEMS AND USE OF THE RESULTANT POLYALPHAOLEFINS TO PREPARE LUBRICANT BLENDS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2010-12-23 WO disclosed
US-20040030134-A1 Process for preparation of integrin receptor antagonist intermediates MERCK & CO., INC. 2004-02-12 US disclosed
CN-1092696-C Chemical Mechanical Polishing Composition CHANGXING CHEMICAL IND CO LTD (CN) 2002-10-16 CN 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-20040030134-A1 Process for preparation of integrin receptor antagonist intermediates ITGB3, ITGAL, ITGB1 MEN1 4216/4885KMT2A 3821/4885HTR6 976/4885
US-11814447-B2 Peptide ligands for binding to EphA2 EPHA2, CD2BP2, LNPEP MEN1 4602/4885KMT2A 3286/4885HTR6 3887/4885

“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.