SCHEMBL4802806

SCHEMBL4802806

CS(=O)(=O)Nc1cc(OC[C@@H](O)CN(Cc2ccccc2)[C@H]2CC[C@H](c3ccc(-c4ccccc4)cc3)CC2)ccc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
CYP19A1 P11511 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 2/20 0.37
ADRB3 P13945 3/20 0.37
ABCB1 P08183 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
NR3C1 P04150 1/20 0.37
CSF1R P07333 2/20 0.36

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
SCHEMBL4802793 1.00 KCNH2 (0.40) KCNH2CYP19A1MEN1KMT2APRMT5
SCHEMBL4802813 1.00 KCNH2 (0.40) KCNH2CYP19A1MEN1KMT2APRMT5
SCHEMBL3290825 0.95 KCNH2 (0.42) KCNH2CYP19A1PRMT5WDR77ADRB3
SCHEMBL3290827 0.95 KCNH2 (0.42) KCNH2CYP19A1PRMT5WDR77ADRB3
SCHEMBL4804580 0.95 KCNH2 (0.40) KCNH2CYP19A1PRMT5WDR77ADRB3
SCHEMBL4804569 0.95 KCNH2 (0.40) KCNH2CYP19A1PRMT5WDR77ADRB3
SCHEMBL4804593 0.95 KCNH2 (0.40) KCNH2CYP19A1PRMT5WDR77ADRB3
SCHEMBL3576131 0.93 MRGPRX4 (0.40) KCNH2PRMT5WDR77ADRB3ABCB1
SCHEMBL3576133 0.93 MRGPRX4 (0.40) KCNH2PRMT5WDR77ADRB3ABCB1
SCHEMBL3287770 0.92 KCNH2 (0.40) KCNH2CYP19A1PRMT5WDR77ADRB3

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 905/4885CYP19A1 390/4885MEN1 2138/4885

“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.