SCHEMBL6478754

SCHEMBL6478754

COC(=O)c1ccc(Oc2ccc(CC(CO)NC(=O)OC(C)(C)C)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
P2RX3 P56373 1/20 0.43
GRN P28799 2/20 0.43
SORT1 Q99523 2/20 0.43
ATM Q13315 1/20 0.41
OPRM1 P35372 7/20 0.41
OPRD1 P41143 7/20 0.41
PCNA P12004 1/20 0.40
OPRK1 P41145 5/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ACACB O00763 4/20 0.38
ACACA Q13085 2/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GRIN1 Q05586 1/20 0.37

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
SCHEMBL6478751 1.00 LMNA (0.47) LMNAP2RX3GRNSORT1ATM
SCHEMBL6488460 0.91 GRN (0.46) P2RX3GRNSORT1ATMOPRM1
SCHEMBL6488465 0.91 GRN (0.46) P2RX3GRNSORT1ATMOPRM1
SCHEMBL4819886 0.86 ITGB3 (0.55) LMNAGRNSORT1ITGB3ITGA2B
SCHEMBL14003075 0.86 ITGB3 (0.55) LMNAGRNSORT1ITGB3ITGA2B
SCHEMBL6478695 0.85 KDM4E (0.48) GRNSORT1ATMOPRM1OPRD1
SCHEMBL6478699 0.85 KDM4E (0.48) GRNSORT1ATMOPRM1OPRD1
SCHEMBL14003076 0.84 LMNA (0.44) LMNAP2RX3GRNSORT1OPRM1
SCHEMBL4819360 0.84 LMNA (0.44) LMNAP2RX3GRNSORT1OPRM1
SCHEMBL15565779 0.83 NPC1 (0.52) LMNAATMITGB3ITGA2B

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-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

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 LMNA 626/4885P2RX3 1025/4885GRN 4814/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 LMNA 611/4885P2RX3 363/4885GRN 4773/4885

“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.