SCHEMBL5302811

SCHEMBL5302811

C1CCC(C2CCC2)[C](C2CCCC2)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL551505 0.98 NOS3 (0.34) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL4655276 0.98 NOS3 (0.37) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL18240335 0.95 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL18274776 0.95 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL10413624 0.95 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL7761924 0.95 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL11231757 0.95 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL8529809 0.95 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL5271505 0.95 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL6079563 0.93 NOS3 (0.32) NOS3NOS1NOS2KDM4EPOLB

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-2668179-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-08-16 EP claimed
EP-2668178-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-20 EP claimed
WO-2023218484-A1 BICYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD. (IN) 2023-11-16 WO disclosed
EP-2668179-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-08-16 EP disclosed
EP-1829874-B1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2014-02-12 EP disclosed
WO-2007017179-A1 USE OF IONIC UV-A SUNSCREENS DSM IP ASSETS B.V. (NL) 2007-02-15 WO disclosed
EP-1599465-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLES Bayer CropScience AG (DE) 2005-11-30 EP disclosed
US-20040242876-A1 Process for the preparation of (pyrimmidin-2-yl) methyl ketones LONZA LTD. (CH) 2004-12-02 US disclosed
WO-2004074274-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-09-02 WO disclosed
US-6780992-B2 5-(4-(2-(2,4-DIMETHYL-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL) -ETHOXY)PHENYL METHYL)THIAZOLIDINE-2,4-DIONE FOR EXAMPLE; ALSO OXAZOLIDINE-2,4-DIONE, AND 1,2,4-OXADIAZOLIDINE-3,5-DIONE DERIVATIVES; REDUCING BLOOD GLUCOSE LEVELS DR. REDDY'S LABORATORIES LTD. (IN) 2004-08-24 US disclosed
US-20020123502-A1 Novel heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them and their use in the treatment of diabetes and related diseases DR. REDDY'S RESEARCH FOUNDATION & REDDY-CHEMINOR, INC. 2002-09-05 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 (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-20020123502-A1 Novel heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them and their use in the treatment of diabetes and related diseases IAPP, GPR119, CYP11B1 NOS3 1395/4885NOS1 1080/4885NOS2 1228/4885
US-20040242876-A1 Process for the preparation of (pyrimmidin-2-yl) methyl ketones MRM1, CYP2E1, CBR1 NOS3 1041/4885NOS1 817/4885NOS2 778/4885

“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.