SCHEMBL4467889

SCHEMBL4467889

Oc1ccc(CCNC[C@@H](O)c2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.73
KDM4E B2RXH2 2/20 0.63
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
ADRB3 P13945 8/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
ADRB1 P08588 3/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SLC22A1 O15245 1/20 0.59
CHRM2 P08172 1/20 0.59
CYP3A4 P08684 1/20 0.59
CHRM1 P11229 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
SLC6A4 P31645 1/20 0.59
OPRM1 P35372 1/20 0.59
SLC6A3 Q01959 1/20 0.59

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
SCHEMBL4467885 1.00 ADRB2 (0.73) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL9543386 1.00 ADRB2 (0.73) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL9467104 0.95 ADRB2 (0.68) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL11467407 0.91 ADRB2 (0.61) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL11467406 0.91 ADRB2 (0.61) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL10720145 0.90 ADRB2 (0.77) ADRB2KDM4EGAASMN1; SMN2TDP1
Bromide SCHEMBL11470044 0.89 ADRB2 (0.59) ADRB2KDM4EGAASMN1; SMN2TDP1
Bromide SCHEMBL11470045 0.89 ADRB2 (0.59) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL19245594 0.86 ADRB2 (0.71) ADRB2KDM4EGAASMN1; SMN2TDP1
SCHEMBL19245591 0.86 ADRB2 (0.71) ADRB2KDM4EGAASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516826-B Beta-3 receptor ligands UNIV BARI 2015-03-04 CN claimed
CN-101516826-B Beta-3 receptor ligands UNIV BARI 2015-03-04 CN disclosed
US-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
CN-101516826-A Beta-3 receptor ligands and therapeutic uses thereof UNIV BARI (IT) 2009-08-26 CN disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 US disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO 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 (2 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 ADRB2 40/4885KDM4E 2289/4885GAA 3421/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ADRB2 123/4885KDM4E 1554/4885GAA 3352/4885

“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.