SCHEMBL6050378

SCHEMBL6050378

COCNC(=O)CCN(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6577364 0.90 RECQL (0.40) RECQLTSHRMEN1KMT2A
SCHEMBL16714884 0.79 KDM4E (0.43) MEN1HTTKMT2AL3MBTL1
SCHEMBL8639742 0.73 TSHR (0.46) RECQLTSHRMEN1KMT2A
SCHEMBL4077595 0.72 SMN1; SMN2 (0.40) TSHRMEN1HTTKMT2AL3MBTL1
SCHEMBL755177 0.71 CA14 (0.35) RECQLTSHRMEN1KMT2A
SCHEMBL11505724 0.69 RECQL (0.58) RECQLTSHRMEN1HTTKMT2A
SCHEMBL1921576 0.69 MEN1 (0.35) MEN1HTTKMT2AL3MBTL1
SCHEMBL17435168 0.69 MEN1 (0.36) TSHRMEN1KMT2A
SCHEMBL752843 0.69 CA14 (0.40) RECQLL3MBTL1
SCHEMBL4078966 0.69 MEN1 (0.32) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6743939-B2 NITRIC OXIDE SYNTHASE INHIBITORS; SUCH AS 4-CHLORO-2-(((1)-4-(METHYLAMINO)-1-PHENYLBUTYL)OXY)BENZONITRILE ASTRAZENECA AB (SE) 2004-06-01 US disclosed
EP-1263714-B1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030105161-A1 Novel phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-06-05 US disclosed
EP-1263714-A1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062713-A1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 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 (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-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase NOS3, NOS1, NOS2 RECQL 69/4885TSHR 2929/4885MEN1 4810/4885
US-20030105161-A1 Novel phenylheteroalkylamine derivatives NOS1, CYP1A1, NOS2 RECQL 504/4885TSHR 3944/4885MEN1 4817/4885

“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.