SCHEMBL6478902

SCHEMBL6478902

COCOc1ccc(C[C@@H](CO)N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
ALOX5 P09917 2/20 0.41
BCHE P06276 2/20 0.41
EPOR P19235 1/20 0.40
OPRD1 P41143 4/20 0.39
OPRK1 P41145 3/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
SLC22A3 O75751 1/20 0.39
ESR1 P03372 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL6478909 1.00 MAOB (0.41) MAOBALOX5BCHEEPOROPRD1
SCHEMBL6478630 0.88 TSHR (0.42) MAOBALOX5BCHEEPOROPRD1
SCHEMBL6478634 0.88 TSHR (0.42) MAOBALOX5BCHEEPOROPRD1
SCHEMBL5319504 0.85 NR4A1 (0.53) MAOBALOX5BCHEEPORPTGS1
SCHEMBL5319502 0.85 NR4A1 (0.53) MAOBALOX5BCHEEPORPTGS1
SCHEMBL13110184 0.85 NR4A1 (0.53) MAOBALOX5BCHEEPORPTGS1
SCHEMBL13126086 0.84 MEN1 (0.48) ALOX5BCHETSHRMAPK1MEN1
SCHEMBL1639928 0.81 TSHR (0.50) OPRD1OPRK1PTGS1TSHRALDH1A1
SCHEMBL475639 0.81 TSHR (0.50) OPRD1OPRK1PTGS1TSHRALDH1A1
SCHEMBL1834351 0.81 TSHR (0.50) OPRD1OPRK1PTGS1TSHRALDH1A1

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 MAOB 607/4885ALOX5 1092/4885BCHE 2377/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 MAOB 767/4885ALOX5 1209/4885BCHE 2046/4885

“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.