SCHEMBL741933

SCHEMBL741933

CNCC(N)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.41
LTA4H P09960 1/20 0.36
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
DGAT1 O75907 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
SLC7A5 Q01650 1/20 0.32
APLNR P35414 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTSK P43235 2/20 0.30
LMNA P02545 1/20 0.30
MAOA P21397 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
Hydrochloric Acid SCHEMBL1064428 0.98 ANPEP (0.39) ANPEPLTA4HNOS1NOS3NOS2
SCHEMBL3545332 0.84 LTA4H (0.36) LTA4HNOS1NOS3NOS2DGAT1
SCHEMBL1062464 0.81 LTA4H (0.40) ANPEPLTA4HNOS1NOS3NOS2
SCHEMBL27741974 0.81 CYP2D6 (0.42) LTA4HNOS1NOS3NOS2DGAT1
SCHEMBL27711551 0.81 MEN1 (0.45) CA1CA2CA7KMT2AMEN1
Hydrochloric Acid SCHEMBL3894157 0.79 MEN1 (0.44) CA1CA2CA7KMT2AMEN1
SCHEMBL13245107 0.79
SCHEMBL3294154 0.79 NOS1 (0.42) LTA4HNOS1NOS3NOS2DGAT1
SCHEMBL6504179 0.79
SCHEMBL569252 0.79 NOS1 (0.39) LTA4HNOS1NOS3NOS2DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101932601-B Insulin derivates 诺沃-诺迪斯克有限公司 2016-08-03 CN disclosed
EP-2217621-B1 INSULIN DERIVATIVE NOVO NORDISK AS (DK) 2015-04-22 EP disclosed
US-8710000-B2 Insulin derivative NOVO NORDISK A/S (DK) 2014-04-29 US disclosed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-20110105381-A2 Prodrugs of Peripheral Phenolic Opioid Antagonists PHARMACOFORE, INC. (US) 2011-05-05 US disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
CN-101932601-A Insulin derivative NOVO NORDISK AS 2010-12-29 CN disclosed
US-20100279931-A1 Insulin Derivative NOVO NORDISK A/S 2010-11-04 US disclosed
US-20100267614-A1 Prodrugs of Peripheral Phenolic Opioid Antagonists PHARMACOFORE, INC. 2010-10-21 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
EP-2058330-A1 Insulin derivative NOVO NORDISK A/S (DK) 2009-05-13 EP disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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 (6 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-20100279931-A1 Insulin Derivative IAPP, INSR, GPR119 ANPEP 342/4885LTA4H 1518/4885NOS1 1196/4885
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 ANPEP 2693/4885LTA4H 1654/4885NOS1 107/4885
US-20110105381-A2 Prodrugs of Peripheral Phenolic Opioid Antagonists OPRM1, OPRL1, OPRK1 ANPEP 574/4885LTA4H 3235/4885NOS1 986/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 ANPEP 2693/4885LTA4H 1654/4885NOS1 107/4885
US-20100267614-A1 Prodrugs of Peripheral Phenolic Opioid Antagonists OPRM1, OPRK1, OPRL1 ANPEP 575/4885LTA4H 3346/4885NOS1 996/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 ANPEP 2040/4885LTA4H 2076/4885NOS1 287/4885

“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.