SCHEMBL4585166

SCHEMBL4585166

O=C(O)N(CCOc1ccc(I)cc1)C[C@@H](O)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.43
ADRB3 P13945 13/20 0.42
ADRB1 P08588 11/20 0.42
ADRB2 P07550 3/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC2A1 P11166 1/20 0.41

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
SCHEMBL4585162 1.00 MEN1 (0.50) MEN1KMT2AKDM4EADRB3ADRB1
SCHEMBL4583955 0.87 KMT2A (0.54) MEN1KMT2AKDM4E
SCHEMBL4583951 0.87 KMT2A (0.54) MEN1KMT2AKDM4E
SCHEMBL4585446 0.86 MEN1 (0.57) MEN1KMT2AKDM4ECYP1A2CYP2C19
SCHEMBL4585449 0.86 MEN1 (0.57) MEN1KMT2AKDM4ECYP1A2CYP2C19
SCHEMBL5703835 0.86 MEN1 (0.45) MEN1KMT2AKDM4EADRB3ADRB1
SCHEMBL6805613 0.83 ADRB3 (0.45) ADRB3ADRB1ADRB2SLC2A1
SCHEMBL6805619 0.83 ADRB3 (0.45) ADRB3ADRB1ADRB2SLC2A1
SCHEMBL4396503 0.80 ADRB1 (0.45) ADRB3ADRB1ADRB2
SCHEMBL4396505 0.80 ADRB1 (0.45) ADRB3ADRB1ADRB2

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-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 MEN1 4146/4885KMT2A 630/4885KDM4E 1697/4885

“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.