SCHEMBL6323874

SCHEMBL6323874

CNc1ccc(C(O)(CC(C)N(Cc2ccccc2)C[C@H](O)COc2ccccc2)c2ccc(NC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ALDH1A1 P00352 6/20 0.43
TSHR P16473 4/20 0.43
CYP2D6 P10635 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KCNH2 Q12809 2/20 0.43
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
SLC22A3 O75751 1/20 0.43
ESR1 P03372 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD1 P21728 1/20 0.43

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
SCHEMBL6323879 1.00 POLB (0.47) POLBALDH1A1TSHRCYP2D6SMN1; SMN2
SCHEMBL6321961 0.88 POLB (0.44) POLBALDH1A1TSHRCYP2D6SMN1; SMN2
SCHEMBL6321964 0.88 POLB (0.44) POLBALDH1A1TSHRCYP2D6SMN1; SMN2
SCHEMBL6320349 0.88 POLB (0.49) POLBALDH1A1TSHRCYP2D6SMN1; SMN2
SCHEMBL6320856 0.88 POLB (0.49) POLBALDH1A1TSHRCYP2D6SMN1; SMN2
SCHEMBL6320861 0.88 POLB (0.49) POLBALDH1A1TSHRCYP2D6SMN1; SMN2
SCHEMBL6320347 0.88 POLB (0.49) POLBALDH1A1TSHRCYP2D6SMN1; SMN2
SCHEMBL6323867 0.88 POLB (0.43) POLBALDH1A1TSHRCYP2D6SMN1; SMN2
SCHEMBL6323870 0.88 POLB (0.43) POLBALDH1A1TSHRCYP2D6SMN1; SMN2
SCHEMBL6322165 0.88 SMN1; SMN2 (0.46) POLBALDH1A1TSHRCYP2D6SMN1; 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 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 (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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 POLB 995/4885ALDH1A1 197/4885TSHR 3883/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 POLB 993/4885ALDH1A1 183/4885TSHR 3757/4885

“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.