SCHEMBL6479423

SCHEMBL6479423

CC(C)(C)OC(=O)N1[C@@H](Cc2ccc(Oc3cnc4ccccc4c3)cc2)COC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CETP P11597 2/20 0.35
GPR119 Q8TDV5 1/20 0.34
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
P2RX7 Q99572 1/20 0.33
OPRK1 P41145 1/20 0.33
SCN9A Q15858 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL6479427 1.00 MEN1 (0.39) MEN1KMT2ACETPGPR119PPARG
SCHEMBL2288435 0.85 SPHK1 (0.39) PPARGNR1H2NR1H3SPHK1KDM4E
SCHEMBL6487557 0.85 SPHK1 (0.39) PPARGNR1H2NR1H3SPHK1KDM4E
SCHEMBL6487562 0.85 SPHK1 (0.39) PPARGNR1H2NR1H3SPHK1KDM4E
SCHEMBL6479435 0.84 MEN1 (0.38) MEN1KMT2ANR1H2NR1H3SPHK1
SCHEMBL6479431 0.84 MEN1 (0.38) MEN1KMT2ANR1H2NR1H3SPHK1
SCHEMBL2295708 0.83 NR1H2 (0.39) KMT2AGPR119PPARANR1H2NR1H3
SCHEMBL2295715 0.83 NR1H2 (0.39) KMT2AGPR119PPARANR1H2NR1H3
SCHEMBL2291830 0.82 SMN1; SMN2 (0.40) MEN1KMT2ASPHK1ALDH1A1
SCHEMBL6492398 0.81 SSTR4 (0.39)

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 2316/4885CETP 2240/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 MEN1 3735/4885KMT2A 1858/4885CETP 2980/4885

“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.