SCHEMBL4799331

SCHEMBL4799331

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.44
MTNR1A P48039 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
ESR2 Q92731 3/20 0.44
ESR1 P03372 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
OPRM1 P35372 2/20 0.43
CTSD P07339 1/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42

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
SCHEMBL4799335 1.00 AGER (0.44) AGERMTNR1ACHRM2CHRM3ESR2
SCHEMBL6495515 0.91 DPP4 (0.49) AGERMTNR1ACHRM2CHRM3ESR2
SCHEMBL6495680 0.91 DPP4 (0.49) AGERMTNR1ACHRM2CHRM3ESR2
SCHEMBL6482118 0.87 CCR5 (0.43) AGERMTNR1ACHRM2CHRM3ESR2
SCHEMBL6482121 0.87 CCR5 (0.43) AGERMTNR1ACHRM2CHRM3ESR2
SCHEMBL3370759 0.84 AGER (0.55) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL4801241 0.84 HSD11B1 (0.48) OPRM1UBE2MDCUN1D1
SCHEMBL4801250 0.84 HSD11B1 (0.48) OPRM1UBE2MDCUN1D1
SCHEMBL7245757 0.81 TYR (0.54) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL7245773 0.81 TYR (0.54) AGERMTNR1ACHRM2CHRM3OPRM1

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-7453010-B2 Phenylcyclohexylpropanolamine derivatives, preparation and therapeutic application thereof SANOFI AVENTIS (FR) 2008-11-18 US 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 AGER 2843/4885MTNR1A 101/4885CHRM2 2/4885

“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.