SCHEMBL2587464

SCHEMBL2587464

c1ccc(C[N]CCc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
EPHX2 P34913 1/20 0.57
FFAR1 O14842 2/20 0.55
FFAR4 Q5NUL3 1/20 0.55
BCHE P06276 5/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAOB P27338 3/20 0.53
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MAOA P21397 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL2643014 0.82 MIF (0.50) LMNASLC6A2SLC6A3HIF1AMAOB
SCHEMBL10609652 0.78 LMNA (0.75) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL27367676 0.78 LMNA (0.82) LTA4HEPHX2BCHELMNACYP1A2
SCHEMBL339813 0.78 LMNA (0.82) LTA4HEPHX2BCHELMNACYP1A2
SCHEMBL6430720 0.78 FFAR1 (0.56) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL12630258 0.77 LTA4H (0.77) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL12040562 0.77 LTA4H (0.77) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL5599 0.77 LTA4H (0.66) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL26914698 0.77 LMNA (0.53) LTA4HEPHX2FFAR1FFAR4BCHE
SCHEMBL3421201 0.75 LMNA (0.85) LTA4HEPHX2FFAR1FFAR4BCHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563757-B1 METHOD FOR PREPARING RITODRINE HYDROCHLORIDE LUNDBECK PHARMACEUTICALS ITALY S P A (IT) 2016-11-16 EP disclosed
US-8912360-B2 Methods for preparing ritodrine hydrochloride LUNDBECK PHARMACEUTICALS ITALY S.P.A. (IT) 2014-12-16 US disclosed
US-20130123539-A1 METHODS FOR PREPARING RITODRINE HYDROCHLORIDE LUNDBECK PHARMACEUTICALS ITALY S.P.A. (IT) 2013-05-16 US disclosed
EP-2563757-A2 METHOD FOR PREPARING RITODRINE HYDROCHLORIDE Lundbeck Pharmaceuticals Italy S.p.A. (IT) 2013-03-06 EP disclosed
WO-2011134724-A2 METHOD FOR PREPARING RITODRINE HYDROCHLORIDE LUNDBECK PHARMACEUTICALS ITALY S.P.A. (IT) 2011-11-03 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 (1 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-20130123539-A1 METHODS FOR PREPARING RITODRINE HYDROCHLORIDE COMT, ADRA2C, ADRA1D LTA4H 1699/4885EPHX2 354/4885FFAR1 3236/4885

“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.