SCHEMBL4801241

SCHEMBL4801241

CC(C)(C)OC(=O)N(Cc1ccccc1)C1CCC(c2ccc(O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
KDM1A O60341 3/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CETP P11597 1/20 0.39
OPRM1 P35372 2/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
AKT1 P31749 2/20 0.38

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
SCHEMBL4801250 1.00 HSD11B1 (0.48) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL6482121 0.87 CCR5 (0.43) CETPOPRM1UBE2MDCUN1D1
SCHEMBL6482118 0.87 CCR5 (0.43) CETPOPRM1UBE2MDCUN1D1
SCHEMBL5265047 0.87 HSD11B1 (0.48) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL5315344 0.87 HSD11B1 (0.46) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL6276845 0.86 HSD11B1 (0.45) HSD11B1NR1H4
SCHEMBL5265045 0.85 HSD11B1 (0.44) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4798450 0.84 HSD11B1 (0.44) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4798444 0.84 HSD11B1 (0.44) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL10207431 0.84 HSD11B1 (0.56) HSD11B1HDAC3HDAC1HDAC2NCOR2

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-7453010-B2 Phenylcyclohexylpropanolamine derivatives, preparation and therapeutic application thereof SANOFI AVENTIS (FR) 2008-11-18 US disclosed
EP-1511722-B1 PHENYLCYCLOHEXYLPROPANOLAMINE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI AVENTIS (FR) 2007-10-03 EP disclosed
US-20060100283-A1 Phenylcyclohexylpropanolamine derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-05-11 US disclosed
EP-1511722-A1 PHENYLCYCLOHEXYLPROPANOLAMINE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2005-03-09 EP disclosed
WO-2003099772-A1 PHENYLCYCLOHEXYLPROPANOLAMINE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2003-12-04 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-20060100283-A1 Phenylcyclohexylpropanolamine derivatives, preparation and therapeutic application thereof CHRM1, CHRM2, C1R HSD11B1 283/4885HDAC3 506/4885HDAC1 923/4885

“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.