SCHEMBL935277

SCHEMBL935277

c1[nH]nnc1CN1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.39
CXCR4 P61073 3/20 0.37
HRH4 Q9H3N8 2/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
PNP P00491 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
JAK2 O60674 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL1968524 0.98 HRH3 (0.42) HRH3CXCR4HRH4ALDH1A1KDM4E
SCHEMBL3555728 0.86 CXCR4 (0.32) HRH3CXCR4
SCHEMBL4417507 0.85 CXCR4 (0.45) HRH3CXCR4ALDH1A1LMNA
SCHEMBL18011025 0.85 CXCR4 (0.45) HRH3CXCR4ALDH1A1LMNA
SCHEMBL16132629 0.84 CXCR4 (0.60) HRH3CXCR4
SCHEMBL2648327 0.83 CXCR4 (0.51) HRH3CXCR4ALDH1A1LMNAHTT
SCHEMBL17968371 0.82 CXCR4 (0.50) HRH3CXCR4ALDH1A1LMNAHTT
SCHEMBL2643825 0.81 HRH3 (0.42) HRH3HRH4L3MBTL1
SCHEMBL30209197 0.80 KDM4E (0.41) HRH3ALDH1A1KDM4EHTTMAPT
SCHEMBL27272577 0.80 KMT2A (0.50) ALDH1A1KDM4ELMNAMAPTJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1675341-A Engine oils comprising lead corrosion-inhibitors CIBA SC HOLDING AG (CH) 2005-09-28 CN claimed
US-11760952-B2 Lubricant thickener systems from modified tall oil fatty acids, lubricating compositions, and associated methods INGEVITY SOUTH CAROLINA, LLC (US) 2023-09-19 US disclosed
US-20230097718-A1 BIOBASED EXTREME PRESSURE ADDITIVE FOR LUBRICATING COMPOSITIONS AND ASSOCIATED METHODS INGEVITY SOUTH CAROLINA, LLC 2023-03-30 US disclosed
CN-110372615-B Pleuromutilin derivative with 2-aminobenzenethiol and 1,2, 3-triazole side chain as well as preparation and application thereof 华南农业大学 2023-02-03 CN disclosed
US-20220220408-A1 LUBRICANT THICKENER SYSTEMS FROM MODIFIED TALL OIL FATTY ACIDS, LUBRICATING COMPOSITIONS, AND ASSOCIATED METHODS MAINSTREAM PINE PRODUCTS, LLC 2022-07-14 US disclosed
EP-3562924-B1 LOW VISCOSITY LUBRICATING OIL COMPOSITIONS FOR TURBOMACHINES EXXONMOBIL RES & ENG CO (US) 2022-05-25 EP disclosed
US-9957272-B2 3-hydroxypyrrolidine inhibitors of 5′-methylthioadenosine phosphorylase and nucleosidase VICTORIA LINK LIMITED (NZ) 2018-05-01 US disclosed
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE VICTORIA LINK LIMITED (NZ) 2017-06-15 US disclosed
US-9493465-B2 3-hydroxypyrrolidine inhibitors of 5′-methylthioadenosine phosphorylase and nucleosidase VICTORIA LINK LIMITED (NZ) 2016-11-15 US disclosed
US-20120157479-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2012-06-21 US disclosed
EP-2454263-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE The Albert Einstein College Of Medicine Of Yeshiva University (US) 2012-05-23 EP disclosed
WO-2011008110-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE ALBERT EINSTEIN COLLEGE OF YESHIVA UNIVERSITY (US) 2011-01-20 WO disclosed
EP-2118245-A2 MULTIPLE METAL CORROSION INHIBITOR Ciba Holding Inc. (CH) 2009-11-18 EP disclosed
CN-101541928-A Stabilised biodiesel fuel compositions CIBA HOLDING INC (CH) 2009-09-23 CN disclosed
EP-2087074-A1 STABILISED BIODIESEL FUEL COMPOSITIONS Ciba Holding Inc. (CH) 2009-08-12 EP disclosed
WO-2008095805-A2 MULTIPLE METAL CORROSION INHIBITOR CIBA HOLDING INC. (CH) 2008-08-14 WO disclosed
WO-2008065015-A1 STABILISED BIODIESEL FUEL COMPOSITIONS CIBA HOLDING INC. (CH) 2008-06-05 WO disclosed
CN-1675341-A Engine oils comprising lead corrosion-inhibitors CIBA SC HOLDING AG (CH) 2005-09-28 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-20120157479-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE TYMP, MTAP, PNP HRH3 1891/4885CXCR4 3498/4885HRH4 2505/4885
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE TYMP, MTAP, PNP HRH3 1744/4885CXCR4 3383/4885HRH4 2292/4885

“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.