SCHEMBL240769

SCHEMBL240769

CCC(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA7 P43166 2/20 0.42
CA12 O43570 2/20 0.42
CA14 Q9ULX7 2/20 0.42
APLNR P35414 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
CTSK P43235 5/20 0.38
CTSS P25774 2/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
DGAT1 O75907 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 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
Hexadecylamine SCHEMBL29058733 0.83 DNM1 (0.41) CA1CA7CA12CA14TDP1
SCHEMBL20288786 0.83 CA1 (0.43) CA1CA7CA12CA14APLNR
SCHEMBL13625265 0.80 APLNR (0.44) CA1CA7CA12CA14APLNR
SCHEMBL3755847 0.80 APLNR (0.41) CA1CA7CA12CA14APLNR
SCHEMBL16906258 0.80 APLNR (0.58) CA1CA7CA12CA14APLNR
SCHEMBL247123 0.80 TDP1 (0.44) CA1CA7CA12CA14APLNR
SCHEMBL28528943 0.80 CA1 (0.41) CA1CA7CA12CA14APLNR
SCHEMBL20578018 0.80 MEN1 (0.42) CA1CA7CA12CA14APLNR
SCHEMBL22018439 0.80 TDP1 (0.44) CA1CA7CA12CA14APLNR
SCHEMBL101218 0.80 DGAT1 (0.46) CA1CA7CA12CA14APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478690-B Stable perovskite nanocrystalline based on novel ligand and preparation method thereof 天津大学 2024-05-28 CN disclosed
EP-3344624-B1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI INC (US) 2023-10-25 EP disclosed
CN-116478690-A Stable perovskite nanocrystalline based on novel ligand and preparation method thereof 天津大学 2023-07-25 CN disclosed
WO-2021249475-A1 FUSED QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2021-12-16 WO disclosed
EP-3252059-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE Medshine Discovery Inc. (CN) 2017-12-06 EP disclosed
US-9469609-B2 Synthesis of pyrrolidine compounds ZEALAND PHARMA A/S (DK) 2016-10-18 US disclosed
US-20150322007-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS ZEALAND PHARMA A/S (DK) 2015-11-12 US disclosed
US-8927590-B2 Synthesis of pyrrolidine compounds ZEALAND PHARMA A/S (DK) 2015-01-06 US disclosed
EP-2322525-B1 Purine derivatives for use as adenosin A2A receptor agonists NOVARTIS AG (CH) 2013-09-18 EP disclosed
US-20130053344-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS ZEALAND PHARMA A/S (DK) 2013-02-28 US disclosed
WO-2007121919-A1 PURINE DERIVATIVES WITH ACTIVITY TO THE ADENOSINE A2A RECEPTOR NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
EP-1805181-A1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS Novartis AG (CH) 2007-07-11 EP disclosed
CN-1802375-A Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARM INC (US) 2006-07-12 CN disclosed
WO-2006045552-A1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-05-04 WO disclosed
EP-1414802-B1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2006-04-26 EP disclosed
US-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-09-09 US disclosed
EP-1414802-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003011830-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2003-02-13 WO disclosed
EP-0820445-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-28 EP 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-20130053344-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS CPS1, DHPS, DDC CA1 2072/4885CA7 1735/4885CA12 3812/4885
US-20150322007-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS CPS1, DHPS, DDC CA1 2072/4885CA7 1735/4885CA12 3812/4885
US-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase NOS3, NOS1, NOS2 CA1 4310/4885CA7 4209/4885CA12 4848/4885

“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.