SCHEMBL16829632

SCHEMBL16829632

CSCC1CCN(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2B P41595 1/20 0.33
MAPK14 Q16539 1/20 0.33
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TACR3 P29371 1/20 0.32

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
SCHEMBL13437904 0.84 EPHX2 (0.41)
SCHEMBL21551177 0.83 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ANPC1TACR3
SCHEMBL23120446 0.81 ALDH1A1 (0.38) ALDH1A1L3MBTL1
SCHEMBL17942452 0.81 ACE (0.43) ALDH1A1NPC1
SCHEMBL13981672 0.81 ALDH1A1 (0.36) ALDH1A1
SCHEMBL15476907 0.79 KCNH2 (0.35) ALDH1A1MEN1KMT2AKCNH2HRH3
SCHEMBL3572787 0.79
SCHEMBL20782772 0.78 TEAD1 (0.46) KMT2A
SCHEMBL25414086 0.78 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ANPC1
SCHEMBL155583 0.77 EPHX2 (0.41) ALDH1A1NPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 EP disclosed
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
US-20220315556-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-06 US disclosed
EP-3082786-B1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
EP-3790871-A1 FURIN INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-03-17 EP disclosed
WO-2019215341-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 WO disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 US disclosed
EP-3082786-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS Merck Sharp & Dohme Corp. (US) 2016-10-26 EP disclosed
WO-2015089809-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015095256-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-06-25 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 (3 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-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS GPR119, GPR65, GPR55 ALDH1A1 2234/4885MEN1 4282/4885KMT2A 2439/4885
US-20220315556-A1 FURIN INHIBITORS FURIN, TGFB1, PCSK7 ALDH1A1 3733/4885MEN1 94/4885KMT2A 4129/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 ALDH1A1 3733/4885MEN1 94/4885KMT2A 4129/4885

“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.