SCHEMBL6478634

SCHEMBL6478634

COCOc1ccc(CC(COC)N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
OPRD1 P41143 2/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
SLC22A3 O75751 1/20 0.42
ESR1 P03372 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL6478630 1.00 TSHR (0.42) TSHRALDH1A1SMN1; SMN2OPRD1SLC22A2
SCHEMBL6478902 0.88 MAOB (0.41) TSHRALDH1A1SMN1; SMN2OPRD1SLC22A2
SCHEMBL6478909 0.88 MAOB (0.41) TSHRALDH1A1SMN1; SMN2OPRD1SLC22A2
SCHEMBL28540834 0.79 TSHR (0.45) TSHRALDH1A1SMN1; SMN2OPRD1SLC22A2
SCHEMBL6489795 0.78 BCHE (0.39) TSHRALDH1A1SMN1; SMN2OPRD1SLC22A2
SCHEMBL6489789 0.78 BCHE (0.39) TSHRALDH1A1SMN1; SMN2OPRD1SLC22A2
SCHEMBL6487242 0.77 EPOR (0.58) ALDH1A1MEN1KMT2ALMNAMAOB
SCHEMBL6487222 0.77 EPOR (0.58) ALDH1A1MEN1KMT2ALMNAMAOB
SCHEMBL13126086 0.75 MEN1 (0.48) TSHRBCHEMEN1KMT2ALMNA
SCHEMBL12772058 0.72 LTA4H (0.64) HRH3CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 US disclosed
EP-1140849-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040560-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 TSHR 1202/4885ALDH1A1 275/4885SMN1; SMN2 3719/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 TSHR 736/4885ALDH1A1 578/4885SMN1; SMN2 3736/4885

“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.