SCHEMBL6479435

SCHEMBL6479435

CC(C)(C)OC(=O)N1C(Cc2ccc(Oc3ccc4ccccc4n3)cc2)COC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NOTCH1 P46531 1/20 0.35
ALOX5 P09917 1/20 0.35
SSTR4 P31391 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
PDE10A Q9Y233 2/20 0.33
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33
BRD4 O60885 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
P2RX7 Q99572 1/20 0.32
CPB2 Q96IY4 1/20 0.32

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
SCHEMBL6479431 1.00 MEN1 (0.38) MEN1KMT2ANOTCH1ALOX5SSTR4
SCHEMBL6487557 0.85 SPHK1 (0.39) SPHK1BRD4NR1H2NR1H3
SCHEMBL6487562 0.85 SPHK1 (0.39) SPHK1BRD4NR1H2NR1H3
SCHEMBL2288435 0.85 SPHK1 (0.39) SPHK1BRD4NR1H2NR1H3
SCHEMBL6479423 0.84 MEN1 (0.39) MEN1KMT2ASPHK1NR1H2NR1H3
SCHEMBL6479427 0.84 MEN1 (0.39) MEN1KMT2ASPHK1NR1H2NR1H3
SCHEMBL6479847 0.84 OPRM1 (0.42)
SCHEMBL6479854 0.84 OPRM1 (0.42)
SCHEMBL2295715 0.82 NR1H2 (0.39) KMT2ASPHK1BRD4NR1H2NR1H3
SCHEMBL2295708 0.82 NR1H2 (0.39) KMT2ASPHK1BRD4NR1H2NR1H3

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-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 US disclosed
EP-1140849-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040560-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 MEN1 4437/4885KMT2A 2316/4885NOTCH1 4438/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 MEN1 3735/4885KMT2A 1858/4885NOTCH1 4192/4885

“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.