SCHEMBL2295688

SCHEMBL2295688

CCOC(=O)c1ccc(C2CCC(N(Cc3ccccc3)C[C@H](O)COc3ccc(OCc4ccccc4)c(NS(C)(=O)=O)c3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
KCNH2 Q12809 1/20 0.37
NR3C1 P04150 2/20 0.37
ABCB1 P08183 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADRB3 P13945 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 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
STAT3 P40763 1/20 0.35
ESRRA P11474 1/20 0.35
CSF1R P07333 2/20 0.35
RAD52 P43351 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
SCHEMBL2295690 1.00 MAPT (0.37) MAPTKCNH2NR3C1ABCB1MEN1
SCHEMBL12380684 1.00 MAPT (0.37) MAPTKCNH2NR3C1ABCB1MEN1
SCHEMBL3576131 0.92 MRGPRX4 (0.40) MAPTKCNH2NR3C1ABCB1ADRB3
SCHEMBL3576133 0.92 MRGPRX4 (0.40) MAPTKCNH2NR3C1ABCB1ADRB3
SCHEMBL4803191 0.91 KCNH2 (0.38) KCNH2NR3C1ABCB1ADRB3CSF1R
SCHEMBL4803205 0.91 KCNH2 (0.38) KCNH2NR3C1ABCB1ADRB3CSF1R
SCHEMBL3287963 0.91 KCNH2 (0.38) MAPTKCNH2NR3C1ABCB1ADRB3
SCHEMBL3287965 0.91 KCNH2 (0.38) MAPTKCNH2NR3C1ABCB1ADRB3
SCHEMBL3290825 0.91 KCNH2 (0.42) KCNH2NR3C1ABCB1ADRB3CSF1R
SCHEMBL3290827 0.91 KCNH2 (0.42) KCNH2NR3C1ABCB1ADRB3CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190529-A1 METHOD FOR PREPARING THE ETHYL ESTER OF 4-[TRANS-4-[(PHENYLMETHYL)-AMINO]CYCLOHEXYL]BENZOIC ACID AND THE HEMIFUMARATE SALT THEREOF SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 MAPT 3646/4885KCNH2 905/4885NR3C1 71/4885
US-20110190529-A1 METHOD FOR PREPARING THE ETHYL ESTER OF 4-[TRANS-4-[(PHENYLMETHYL)-AMINO]CYCLOHEXYL]BENZOIC ACID AND THE HEMIFUMARATE SALT THEREOF CYP4F11, CYP51A1, CYP4F2 MAPT 2085/4885KCNH2 3145/4885NR3C1 3708/4885
US-20100075986-A1 Oxophenyl-Cyclohexyl-Propanolamine Derivatives, Production And Use Thereof In Therapeutics HRH4, HRH3, AOC3 MAPT 3137/4885KCNH2 136/4885NR3C1 314/4885
US-20050176731-A1 Oxophenyl-cyclohexyl-propanolamine derivatives, production and use therof in therapeutics HRH4, HRH3, HTR3C MAPT 2619/4885KCNH2 353/4885NR3C1 521/4885

“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.