SCHEMBL6338306

SCHEMBL6338306

CCC(CCN(C)C(=O)O)Oc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PPARD Q03181 1/20 0.38
MRGPRX4 Q96LA9 4/20 0.38
ALDH1A1 P00352 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
FFAR1 O14842 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC6A9 P48067 1/20 0.36

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
SCHEMBL6337825 0.90 PPARA (0.39) HTR2ASLC6A4KCNH2PPARGPPARA
SCHEMBL6335292 0.85 MEN1 (0.46) SLC6A4ALDH1A1L3MBTL1KDM4EGAA
SCHEMBL6338307 0.79 MRGPRX4 (0.41) PPARGPPARAPTGDR2PPARDMRGPRX4
SCHEMBL6338273 0.77 KMT2A (0.46) PPARGPPARAALDH1A1MAPTKDM4E
SCHEMBL6329941 0.76 SLC6A4 (0.50) HTR2ASLC6A4KCNH2MRGPRX4ALDH1A1
Hydrochloric Acid SCHEMBL6327837 0.75 SLC6A4 (0.51) HTR2ASLC6A4KCNH2MRGPRX4ALDH1A1
SCHEMBL6332395 0.75 KMT2A (0.46) ALDH1A1L3MBTL1MAPTKDM4EGAA
SCHEMBL6329809 0.74 MEN1 (0.45) HTR2AALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL6337831 0.72 MRGPRX4 (0.44) PPARGPPARAPTGDR2PPARDMRGPRX4
SCHEMBL6328424 0.72 NOS2 (0.53) SLC6A4MRGPRX4

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 HTR2A 297/4885SLC6A4 2179/4885KCNH2 488/4885

“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.