SCHEMBL4586003

SCHEMBL4586003

CC(C)N(C)c1cc(-c2ccc(CCN(C[C@H](O)c3ccccc3)C(=O)O)cc2)ccc1C=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRB1 P08588 5/20 0.39
ADRB2 P07550 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
GLI1 P08151 1/20 0.36
GLI2 P10070 1/20 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
SCHEMBL4586010 1.00 ADRB3 (0.40) ADRB3KDM4EALDH1A1MEN1KMT2A
SCHEMBL5703883 0.80 NPC1 (0.46) ADRB3SMN1; SMN2ADRB1ADRB2
SCHEMBL5670275 0.79 ADRB3 (0.39) ADRB3KDM4EALDH1A1ADRB1ADRB2
SCHEMBL4564837 0.79 ADRB3 (0.39) ADRB3KDM4EALDH1A1ADRB1ADRB2
SCHEMBL4467535 0.73 ADRB3 (0.45) ADRB3ADRB1ADRB2
SCHEMBL4467531 0.73 ADRB3 (0.45) ADRB3ADRB1ADRB2
SCHEMBL4456535 0.73 ADRB3 (0.47) ADRB3ADRB1
SCHEMBL4456530 0.73 ADRB3 (0.47) ADRB3ADRB1
SCHEMBL4479042 0.73 GLI1 (0.50) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4479037 0.73 GLI1 (0.50) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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 ADRB3 86/4885KDM4E 1697/4885ALDH1A1 1621/4885

“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.