SCHEMBL4256708

SCHEMBL4256708

CC(C)(C)NCc1cccc(CO)c1CO.O=C(OC(C(=O)O)C(OC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
RECQL P46063 1/20 0.43
ADRB2 P07550 7/20 0.43
ADRB1 P08588 7/20 0.43
ADRB3 P13945 7/20 0.43
HTR1A P08908 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
MAPT P10636 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
PTGS2 P35354 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL4258634 0.86 CYP2D6 (0.47) CYP2D6TSHRTP53RECQLADRB2
Albuterol SCHEMBL3831149 0.73 ADRB2 (0.67) CYP2D6TSHRADRB2ADRB1ADRB3
Levosalbutamol SCHEMBL2588389 0.73 ADRB2 (0.67) CYP2D6TSHRADRB2ADRB1ADRB3
Alcohol SCHEMBL18886336 0.71 TSHR (0.79) CYP2D6TSHRTP53RECQLMEN1
Methyl Alcohol SCHEMBL29466887 0.71 TSHR (0.92) CYP2D6TSHRTP53RECQLSLC6A3
SCHEMBL670257 0.71 TSHR (1.00) CYP2D6TSHRTP53RECQLSLC6A3
SCHEMBL11886503 0.71 TSHR (1.00) CYP2D6TSHRTP53RECQLSLC6A3
SCHEMBL221678 0.71 TSHR (1.00) CYP2D6TSHRTP53RECQLSLC6A3
SCHEMBL223030 0.71 TSHR (1.00) CYP2D6TSHRTP53RECQLSLC6A3
SCHEMBL14117921 0.71 TSHR (1.00) CYP2D6TSHRTP53RECQLSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482489-B2 Enantiomerically pure (R)-albuterol dibenzoyltartrate and protected analogs thereof TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2009-01-27 US disclosed
US-20080132579-A1 Preparation of levalbuterol hydrochloride TEVA PHARMACEUTICALS USA, INC. FOR BARBADOS. 2008-06-05 US disclosed
EP-1641741-A1 LEVALBUTEROL HYDROCHLORIDE POLYMORPH B Teva Pharmaceutical Fine Chemicals S.R.L. (IT) 2006-04-05 EP disclosed
US-20050267216-A1 Levalbuterol hydrochloride polymorph B TEVA PHARMACEUTICALS USA, INC. 2005-12-01 US disclosed
WO-2005113482-A1 LEVALBUTEROL HYDROCHLORIDE POLYMORPH B TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2005-12-01 WO disclosed
US-20050261368-A1 Preparation of levalbuterol hydrochloride TEVA PHARMACEUTICAL FINE CHEMICALS S.R.I. (IT) 2005-11-24 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 (3 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-20080132579-A1 Preparation of levalbuterol hydrochloride LDHB, DLST, DAGLB CYP2D6 639/4885TSHR 2097/4885TP53 4804/4885
US-20050261368-A1 Preparation of levalbuterol hydrochloride LDHB, DLST, DAGLB CYP2D6 639/4885TSHR 2097/4885TP53 4804/4885
US-20050267216-A1 Levalbuterol hydrochloride polymorph B LDHB, CYP11B1, MYO3B CYP2D6 108/4885TSHR 3902/4885TP53 4036/4885

“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.