SCHEMBL6328432

SCHEMBL6328432

CN(CCC(O)Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
TRPA1 O75762 2/20 0.45
ALPL P05186 1/20 0.44
POLB P06746 1/20 0.44
ALPG P10696 1/20 0.44
UBE2N P61088 1/20 0.43
CYP1A2 P05177 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL3507237 0.83 HPGD (0.58) HPGDNPC1RAB9ACA12CA9
SCHEMBL6335078 0.81 L3MBTL1 (0.42) HPGDTRPA1CHRM1SLC6A4CHRNB2
SCHEMBL10282508 0.77 SIGMAR1 (0.40) HPGDTRPA1ALPLPOLBALPG
SCHEMBL527127 0.76 KDM4E (0.49) HPGDLMNAKMT2AHTR2AMEN1
SCHEMBL6893002 0.76 KDM4E (0.49) HPGDLMNAKMT2AHTR2AMEN1
SCHEMBL5105980 0.75 TRPA1 (0.52) TRPA1ALPLPOLBALPGCYP1A2
SCHEMBL1520363 0.74 KMT2A (0.59) HPGDNPC1RAB9ACA12CA9
SCHEMBL17337673 0.74 HPGD (0.56) HPGDNPC1RAB9ACA12CA9
SCHEMBL6907271 0.74 ALDH1A1 (0.55) NPC1RAB9ATRPA1ALPLPOLB
SCHEMBL6495924 0.73 CPA3 (0.65) TRPA1CYP1A2ADRA1ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900243-B2 Phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-05-31 US 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
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 (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-20030065174-A1 Novel phenylheteroalkylamine derivatives OPRK1, NOS2, OPRM1 HPGD 255/4885NPC1 2908/4885RAB9A 2216/4885

“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.