SCHEMBL6016784

SCHEMBL6016784

COC(=O)Cc1ccc(OCC(O)CNC(C)C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.77
ADRB1 P08588 4/20 0.77
TDP1 Q9NUW8 3/20 0.76
LMNA P02545 2/20 0.76
ADRA1A P35348 2/20 0.76
PMP22 Q01453 2/20 0.76
CYP1A2 P05177 2/20 0.76
TSHR P16473 2/20 0.76
CNR1 P21554 1/20 0.76
ADRA1D P25100 1/20 0.76
ADRA1B P35368 1/20 0.76
KDM4E B2RXH2 1/20 0.76
GLA P06280 1/20 0.76
CYP3A4 P08684 1/20 0.76
NFKB1 P19838 1/20 0.76
THPO P40225 1/20 0.76
BLM P54132 1/20 0.76
CYP2D6 P10635 2/20 0.66
NR3C1 P04150 1/20 0.66
CYP2J2 P51589 1/20 0.66

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
SCHEMBL9630745 1.00 ADRB2 (0.77) ADRB2ADRB1TDP1LMNAADRA1A
Hydrochloric Acid SCHEMBL10840777 0.99 ADRB2 (0.75) ADRB2ADRB1TDP1LMNAADRA1A
SCHEMBL9628892 0.88 ADRB2 (0.78) ADRB2ADRB1TDP1LMNAADRA1A
SCHEMBL10961494 0.88 ADRB2 (0.78) ADRB2ADRB1TDP1LMNAADRA1A
SCHEMBL6674480 0.88 ADRB2 (0.78) ADRB2ADRB1TDP1LMNAADRA1A
SCHEMBL10072155 0.88 ADRB2 (0.78) ADRB2ADRB1TDP1LMNAADRA1A
Esmolol SCHEMBL3606 0.87 ADRB2 (1.00) ADRB2ADRB1TDP1LMNAADRA1A
Esmolol SCHEMBL3607 0.87 ADRB2 (1.00) ADRB2ADRB1TDP1LMNAADRA1A
Esmolol SCHEMBL3605 0.87 ADRB2 (1.00) ADRB2ADRB1TDP1LMNAADRA1A
Esmolol SCHEMBL6509147 0.87 ADRB2 (1.00) ADRB2ADRB1TDP1LMNAADRA1A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007101-B1 IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC/THERAPEUTIC AGENTS GE HEALTHCARE AS (NO) 2006-05-17 EP disclosed
EP-0973552-B1 IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC/THERAPEUTIC AGENTS AMERSHAM HEALTH AS (NO) 2006-03-01 EP disclosed
US-20050002865-A1 Diagnostic/therapeutic agents AMERSHAM HEALTH AS (NO) 2005-01-06 US disclosed
US-20040141922-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2004-07-22 US disclosed
US-20020102215-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2002-08-01 US disclosed
US-6331289-B1 ULTRASOUND CONTRAST AGENTS, SUSPENSION IN AQUEOUS CARRIER LIQUID OF A REPORTER COMPRISING GAS-CONTAINING OR GAS-GENERATING MATERIAL, AGENT CAPABLE OF FORMING AT LEAST TWO TYPES OF BINDING PAIRS WITH TARGET; REPORTER BEING CONJUGATED NYCOMED IMAGING AS (NO) 2001-12-18 US disclosed
US-6264917-B1 MIXTURE OF GAS FILLED MICROBUBBLES AND RELEASING AGENT NYCOMED IMAGING AS (NO) 2001-07-24 US disclosed
US-6261537-B1 TARGETS AND ULTRASOUND DIAGNOSIS OF ACTIVE MATERIALS, AQUEOUS CARRIER LIQUIDS, CARRIERS AND FILM FORMING SURFACTANT PHOSPHATIDES NYCOMED IMAGING AS (NO) 2001-07-17 US disclosed
CN-1016074-B PROCESS FOR PREPARING ESTERS OF 4-(2-HYDROXY-3-ISOPROPYLAMINO-PROPOXY) PHENYLACETIC ACID AND/OR ATENOLOL IN STEREOSPECIFIC FORM GIST BROCADES NV (NL) 1992-04-01 CN disclosed
CN-1031397-A The method of the stereospecific form of preparation 4-(2,3 one glycidoxy)-phenylacetate and 4-(different phenylamino one propoxy-of 2-hydroxyl-3-)-phenylacetate and/or 4-(2-hydroxyl-3-isopropylamino propoxy-)-phenylacetamide GIST BROCADES NV (NL) 1989-03-01 CN disclosed
US-4329289-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1982-05-11 US disclosed
US-4314085-A Intermediates for preparing adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1982-02-02 US disclosed
US-4304721-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-12-08 US disclosed
US-4301300-A ADRENERGIC BLOCKING AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-11-17 US disclosed
US-4285873-A ANTIANDROGENS HOFFMANN-LA ROCHE INC. (US) 1981-08-25 US disclosed
US-4281189-A Sulfonamide intermediates for adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-07-28 US disclosed
US-4278608-A Adrenergic blocking agents HOFFMANN-LA ROCHE INC. (US) 1981-07-14 US disclosed
US-4247710-A THE 3'-HYDROXY, -BENZYLOXY, OR -HALO DERIVATIVES OF METHYL 4-((2'-HYDROXYPROPYL)OXY)PHENYLACETATE HOFFMANN-LA ROCHE INC. (US) 1981-01-27 US disclosed
US-4202978-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE, ANTISECRETORY, SPASMOLYTIC HOFFMANN-LA ROCHE INC. (US) 1980-05-13 US disclosed
EP-0005142-A1 Phenylpiperazine derivatives, process for their preparation, intermediates for this purpose and medicaments containing such phenylpiperazine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-11-14 EP 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-20040141922-A1 Diagnostic/therapeutic agents BID, FUS, FABP1 ADRB2 1875/4885ADRB1 1925/4885TDP1 1645/4885
US-20050002865-A1 Diagnostic/therapeutic agents FUS, HNRNPF, HNRNPR ADRB2 2327/4885ADRB1 2525/4885TDP1 1878/4885
US-20020102215-A1 Diagnostic/therapeutic agents BID, FUS, FABP1 ADRB2 2022/4885ADRB1 1962/4885TDP1 1721/4885

“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.