SCHEMBL6079513

SCHEMBL6079513

CCC(O)CCN(C)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
FFAR1 O14842 1/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
HPGD P15428 1/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL6079293 0.85 CHRM1 (0.38) GPR84FFAR4FFAR1HPGDCHRM1
SCHEMBL27794043 0.83 THRB (0.39) NOS3NOS1NOS2HPGD
SCHEMBL6330662 0.82 FFAR1 (0.47) GPR84FFAR4FFAR1CA2MAPK1
SCHEMBL6330646 0.79 RNPEP (0.34) HPGDADRA1A
SCHEMBL13229798 0.78 ALDH1A1 (0.36)
SCHEMBL12468960 0.77 HPGD (0.32) HPGD
SCHEMBL3228571 0.77 LMNA (0.32) GPR84
SCHEMBL6078263 0.75 CETP (0.33)
SCHEMBL6078840 0.75 CETP (0.33)
SCHEMBL28335794 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119109-B2 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2006-10-10 US disclosed
US-6900243-B2 Phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-05-31 US disclosed
US-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-11-04 US disclosed
EP-1421067-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2004-05-26 EP disclosed
EP-1263715-B1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030065174-A1 Novel phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-03 US disclosed
WO-2003011831-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2003-02-13 WO disclosed
EP-1263715-A1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062714-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-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase NOS3, NOS2, NOS1 GPR84 1328/4885NOS3 1/4885NOS1 3/4885
US-20030065174-A1 Novel phenylheteroalkylamine derivatives OPRK1, NOS2, OPRM1 GPR84 288/4885NOS3 5/4885NOS1 4/4885

“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.