SCHEMBL11508997

SCHEMBL11508997

CCCCN[C@@H](C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
EPHX1 P07099 7/20 0.41
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 2/20 0.36
MMP2 P08253 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
SLC15A1 P46059 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL12827797 1.00 ALOX15 (0.43) ALOX15CA1CA2EPHX1MEN1
SCHEMBL7066326 0.94 EPHX1 (0.44) ALOX15CA1CA2EPHX1MEN1
SCHEMBL5183229 0.94 EPHX1 (0.44) ALOX15CA1CA2EPHX1MEN1
SCHEMBL24709285 0.92 EPHX1 (0.47) EPHX1MEN1FAAHMAPK1KMT2A
SCHEMBL29019997 0.92 EPHX1 (0.47) EPHX1MEN1FAAHMAPK1KMT2A
Hydrochloric Acid SCHEMBL7769070 0.90 EPHX1 (0.46) EPHX1MEN1FAAHMAPK1KMT2A
SCHEMBL6997820 0.86
SCHEMBL3207666 0.86
SCHEMBL31321062 0.86
Iodide SCHEMBL6053667 0.84 SCN1A (0.41) ALOX15CA1CA2EPHX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264823-A1 SUBSTITUTED HETEROARYL- AND ARYL-CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE ORYZON GENOMICS S.A. 2012-10-18 US disclosed
US-4172934-A Acrylic functional aminocarboxylic acids and derivatives as components of pressure sensitive adhesives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1979-10-30 US disclosed
US-4157418-A ADHESIVE TAPES HAVING EXCELLENT BALANCE OF TACK, ADHESION AND COHESION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1979-06-05 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 (1 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-20120264823-A1 SUBSTITUTED HETEROARYL- AND ARYL-CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE CBR1, CNR1, CBR3 ALOX15 929/4885CA1 979/4885CA2 1624/4885

“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.