SCHEMBL4803205

SCHEMBL4803205

CCOC(=O)COc1ccc([C@H]2CC[C@H](N(Cc3ccccc3)C[C@H](O)COc3ccc(OCc4ccccc4)c(NS(C)(=O)=O)c3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
NR3C1 P04150 3/20 0.38
ABCB1 P08183 3/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
CSF1R P07333 2/20 0.34
ADRB3 P13945 1/20 0.34
POLB P06746 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL4803191 1.00 KCNH2 (0.38) KCNH2NR3C1ABCB1PGRNR3C2
SCHEMBL4801282 0.93 NR3C1 (0.41) KCNH2NR3C1ABCB1PGRNR3C2
SCHEMBL4801291 0.93 NR3C1 (0.41) KCNH2NR3C1ABCB1PGRNR3C2
SCHEMBL2295690 0.91 MAPT (0.37) KCNH2NR3C1ABCB1CSF1RADRB3
SCHEMBL12380684 0.91 MAPT (0.37) KCNH2NR3C1ABCB1CSF1RADRB3
SCHEMBL2295688 0.91 MAPT (0.37) KCNH2NR3C1ABCB1CSF1RADRB3
SCHEMBL3290827 0.90 KCNH2 (0.42) KCNH2NR3C1ABCB1ARCSF1R
SCHEMBL3290825 0.90 KCNH2 (0.42) KCNH2NR3C1ABCB1ARCSF1R
SCHEMBL4804593 0.90 KCNH2 (0.40) KCNH2NR3C1ABCB1CSF1RADRB3
SCHEMBL4804569 0.90 KCNH2 (0.40) KCNH2NR3C1ABCB1CSF1RADRB3

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 2 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

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 KCNH2 905/4885NR3C1 71/4885ABCB1 281/4885

“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.