SCHEMBL6322859

SCHEMBL6322859

CC(C[C@H](O)C(N)Oc1ccccc1)CC(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.36
LAP3 P28838 1/20 0.36
LMNA P02545 2/20 0.34
GRIN1 Q05586 4/20 0.33
GRIN2A Q12879 4/20 0.33
GRIN2D O15399 3/20 0.33
GRIN2C Q14957 3/20 0.33
GRIN2B Q13224 2/20 0.33
KIF11 P52732 3/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
LNPEP Q9UIQ6 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7764615 0.87 KIF11 (0.36) ANPEPLAP3GRIN2BKIF11
SCHEMBL10514033 0.72 SMN1; SMN2 (0.43) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL7768619 0.71 PPARG (0.39) LMNAKIF11SMN1; SMN2ALDH1A1
SCHEMBL11791034 0.69 PPARG (0.39) ANPEPLAP3LMNALNPEPCYP2D6
SCHEMBL11649112 0.69 GBA1 (0.50) LMNASMN1; SMN2
SCHEMBL3826640 0.69 LMNA (0.45) ANPEPLAP3LMNAMTNR1AMTNR1B
SCHEMBL10874754 0.68 ADRB2 (0.54) MTNR1AMTNR1BCYP2D6
Hydrochloric Acid SCHEMBL5266256 0.67 ALDH1A1 (0.45) ANPEPLAP3LMNAMTNR1AMTNR1B
SCHEMBL7770335 0.67 MAPT (0.46) LMNAMTNR1AMTNR1BALDH1A1HSD17B10
SCHEMBL5696503 0.67 SMN1; SMN2 (0.47) LMNAGRIN1GRIN2AGRIN2DGRIN2C

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-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
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ANPEP 525/4885LAP3 115/4885LMNA 1401/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 ANPEP 754/4885LAP3 138/4885LMNA 1481/4885

“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.