SCHEMBL3576131

SCHEMBL3576131

CS(=O)(=O)Nc1cc(OC[C@@H](O)CN(Cc2ccccc2)C2CCC(c3ccc(C(=O)O)cc3)CC2)ccc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.40
KCNH2 Q12809 1/20 0.39
ABCB1 P08183 5/20 0.38
NR3C1 P04150 2/20 0.37
CSF1R P07333 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ADRB3 P13945 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM1A O60341 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
SCHEMBL3576133 1.00 MRGPRX4 (0.40) MRGPRX4KCNH2ABCB1NR3C1CSF1R
SCHEMBL3287965 0.94 KCNH2 (0.38) MRGPRX4KCNH2ABCB1NR3C1CSF1R
SCHEMBL3287963 0.94 KCNH2 (0.38) MRGPRX4KCNH2ABCB1NR3C1CSF1R
SCHEMBL3290827 0.94 KCNH2 (0.42) KCNH2ABCB1NR3C1CSF1RPRMT5
SCHEMBL3290825 0.94 KCNH2 (0.42) KCNH2ABCB1NR3C1CSF1RPRMT5
SCHEMBL3286751 0.93 KCNH2 (0.39) MRGPRX4KCNH2NR3C1PRMT5WDR77
SCHEMBL4804569 0.93 KCNH2 (0.40) KCNH2ABCB1NR3C1CSF1RPRMT5
SCHEMBL4804580 0.93 KCNH2 (0.40) KCNH2ABCB1NR3C1CSF1RPRMT5
SCHEMBL4804593 0.93 KCNH2 (0.40) KCNH2ABCB1NR3C1CSF1RPRMT5
SCHEMBL4802793 0.93 KCNH2 (0.40) KCNH2ABCB1NR3C1CSF1RPRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075986-A1 Oxophenyl-Cyclohexyl-Propanolamine Derivatives, Production And Use Thereof In Therapeutics SANOFI-AVENTIS (FR) 2010-03-25 US disclosed
US-7625929-B2 Oxophenyl-cyclohexyl-propanolamine derivatives, production and use thereof in therapeutics SANOFI-AVENTIS (FR) 2009-12-01 US disclosed
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
EP-1511728-B1 OXOPHENYL-CYCLOHEXYL-PROPANOLAMINE DERIVATIVES, PRODUCTION AND USE THEREOF IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-03-14 EP disclosed
US-20060100283-A1 Phenylcyclohexylpropanolamine derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-05-11 US disclosed
US-20050176731-A1 Oxophenyl-cyclohexyl-propanolamine derivatives, production and use therof in therapeutics SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
EP-1511728-A2 OXOPHENYL-CYCLOHEXYL-PROPANOLAMINE DERIVATIVES, PRODUCTION AND USE THEREOF IN THERAPEUTICS Sanofi-Aventis (FR) 2005-03-09 EP 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
WO-2003099819-A2 OXOPHENYL-CYCLOHEXYL-PROPANOLAMINE DERIVATIVES, PRODUCTION AND USE THEREOF IN THERAPEUTICS 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 (3 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 MRGPRX4 159/4885KCNH2 905/4885ABCB1 281/4885
US-20100075986-A1 Oxophenyl-Cyclohexyl-Propanolamine Derivatives, Production And Use Thereof In Therapeutics HRH4, HRH3, AOC3 MRGPRX4 191/4885KCNH2 136/4885ABCB1 306/4885
US-20050176731-A1 Oxophenyl-cyclohexyl-propanolamine derivatives, production and use therof in therapeutics HRH4, HRH3, HTR3C MRGPRX4 135/4885KCNH2 353/4885ABCB1 515/4885

“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.