SCHEMBL6478714

SCHEMBL6478714

COC(=O)c1ccc(Oc2ccc(CC(N)CO)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
OPRM1 P35372 9/20 0.49
OPRD1 P41143 9/20 0.49
OPRK1 P41145 7/20 0.49
P2RX3 P56373 2/20 0.48
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
GRIN1 Q05586 1/20 0.45
KCNH2 Q12809 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
ROCK1 Q13464 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41

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
Hydrochloric Acid SCHEMBL6478722 0.99 LMNA (0.51) LMNAOPRM1OPRD1OPRK1P2RX3
Hydrochloric Acid SCHEMBL6478708 0.99 LMNA (0.51) LMNAOPRM1OPRD1OPRK1P2RX3
Hydrochloric Acid SCHEMBL6478980 0.85 OPRM1 (0.60) OPRM1OPRD1OPRK1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL6478982 0.85 OPRM1 (0.60) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL21656974 0.83 LMNA (0.60) LMNAOPRM1OPRD1OPRK1P2RX3
SCHEMBL23210676 0.81 LMNA (0.61) LMNAOPRM1OPRD1OPRK1P2RX3
SCHEMBL21144955 0.80 LOXL2 (0.61) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL18920591 0.80 LOXL2 (0.61) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL21656679 0.80 LMNA (0.56) LMNAOPRM1OPRD1OPRK1P2RX3
SCHEMBL6478754 0.80 LMNA (0.47) LMNAOPRM1OPRD1OPRK1P2RX3

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 626/4885OPRM1 19/4885OPRD1 17/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 LMNA 611/4885OPRM1 33/4885OPRD1 25/4885

“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.