SCHEMBL1798129

SCHEMBL1798129

CC(C)(C)OC(=O)N(CCc1cccc(CCO)c1)CCc1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
SSTR4 P31391 1/20 0.38
ACKR3 P25106 1/20 0.38
AOC3 Q16853 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
CA14 Q9ULX7 1/20 0.35
RIPK1 Q13546 1/20 0.35
ACHE P22303 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LPAR1 Q92633 3/20 0.35
LPAR5 Q9H1C0 2/20 0.35
CTSS P25774 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
SCHEMBL1802465 0.93 HDAC1 (0.42) TAAR1SSTR4ACKR3AOC3CYP4F2
SCHEMBL27741102 0.87 TAAR1 (0.36) TAAR1ACKR3AOC3PTPN1ALDH1A1
SCHEMBL1796402 0.86 ALDH1A1 (0.44) SSTR4CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL1799921 0.85 ITGA4 (0.43) AOC3CYP4F2CYP4A11ACHE
SCHEMBL1802926 0.85 ALDH1A1 (0.45) TAAR1ALDH1A1KDM4EHDAC1L3MBTL1
SCHEMBL1802560 0.85 SSTR4 (0.43) TAAR1SSTR4ACKR3AOC3ALDH1A1
SCHEMBL25047631 0.84 TAAR1 (0.44) TAAR1SSTR4ACKR3AOC3PTPN1
SCHEMBL1801179 0.83 LPAR1 (0.43) SSTR4ALDH1A1LPAR1
SCHEMBL1802024 0.82 SSTR4 (0.45) TAAR1SSTR4ACKR3AOC3PTPN1
SCHEMBL1799531 0.82 CYP4F2 (0.43) SSTR4CYP4F2CYP4A11HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 TAAR1 364/4885SSTR4 1197/4885ACKR3 496/4885

“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.