SCHEMBL6971070

SCHEMBL6971070

CCCCc1nc(COC(C)=O)cn1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.40
▸ AGTR2 P50052 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ AGER Q15109 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32

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
SCHEMBL8433565 0.88 ALDH1A1 (0.41) AGTR1AGTR2ALDH1A1LMNACNR1
SCHEMBL9367623 0.82 AGTR1 (0.38) AGTR1AGTR2ALDH1A1CYP1A2CYP3A4
SCHEMBL7268388 0.69 AGTR1 (0.36) AGTR1AGTR2ALDH1A1
SCHEMBL13034148 0.67 ALDH1A1 (0.58) ALDH1A1CYP3A4HPGDLMNAESR1
SCHEMBL11856246 0.67 MAPT (0.36) AGTR1AGTR2ALDH1A1CYP1A2CYP2C9
SCHEMBL14225456 0.66 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13783906 0.63 ALDH1A1 (0.56) ALDH1A1CYP3A4LMNAMAPTESR1
SCHEMBL8367993 0.63 ALDH1A1 (0.43) ALDH1A1CYP3A4ESR1
SCHEMBL10933689 0.62 ALDH1A1 (0.50) ALDH1A1CYP3A4LMNAMAPK1
SCHEMBL13232451 0.62 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187044-A1 Medicament SMITHKLINE BEECHAM P.L.C. 2003-10-02 — — US disclosed
EP-0955294-B1 Imidazolyl-alkenoic acid SMITHKLINE BEECHAM CORP (US) 2003-09-24 — — EP disclosed
US-20030166700-A1 Administering a substituted imidazoles to a mammal for the treatment of athroma progression and regression SMITHKLINE BEECHAM P.L.C. 2003-09-04 — — US disclosed
US-20030096851-A1 Medicament SMITHKLINE BEECHAM P.L.C. 2003-05-22 — — US disclosed
US-20030069293-A1 Medicament SMITHKLINE BEECHAM PLC 2003-04-10 — — US disclosed
US-20030050285-A1 Substituted imidazoles; angiotensin II receptor antagonist for the treatment of hemorrhagic stroke SMITHKLINE BEECHAM P.L.C. 2003-03-13 — — US disclosed
US-20030004201-A1 Medicament SMITHKLINE BEECHAM P.L.C. 2003-01-02 — — US disclosed
US-20020160985-A1 Medicament SMITHKLINE BEECHAM PLC 2002-10-31 — — US disclosed
EP-0641203-B1 PHARMACEUTICAL COMPOSITIONS OF AN IMIDAZOLYL-AKENOIC ACID SALT AND THEIR USE AS ANGIOTENSIN II ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-16 — — EP disclosed
US-20020132840-A1 Treating angina in a mammal by administering an angiotensin II receptor antagonist. SMITHKLINE BEECHAM P.1.C. 2002-09-19 — — US disclosed
WO-1992010184-A1 USE OF ANGIOTENSIN II RECEPTOR ANTAGONISTS IN THE TREATMENT OF ATHEROMA SMITHKLINE BEECHAM PLC (GB) 1992-06-25 — — WO disclosed
WO-1992010097-A1 ANGIOTENSIN II RECEPTOR BLOCKING COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 1992-06-25 — — WO disclosed
WO-1992010186-A1 USE OF ANGIOTENSN II RECEPTOR ANTAGONISTS FOR THE PREPARATION OF A MEDICAMENT FOR IMPROVING COGNITIVE FUNCTION SMITHKLINE BEECHAM PLC (GB) 1992-06-25 — — WO disclosed
WO-1992010185-A1 USE OF ANGIOTENSIN II RECEPTOR ANTAGONISTS IN THE PREVENTION OF RESTINOSIS SMITHKLINE BEECHAM PLC (GB) 1992-06-25 — — WO disclosed
WO-1992010183-A1 USE OF ANGIOTENSIN II RECEPTOR ANTAGONISTS IN THE TREATMENT OF DIABETIC RETINOPATHY SMITHKLINE BEECHAM PLC (GB) 1992-06-25 — — WO disclosed
WO-1992010187-A1 USE OF ANGIOTENSIN II ANTAGONISTS IN THE TREATMENT OF ANGINA PECTORIS SMITHKLINE BEECHAM PLC (GB) 1992-06-25 — — WO disclosed
WO-1992002510-A1 SUBSTITUTED [1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-02-20 — — WO disclosed
WO-1992000068-A1 SUBSTITUTED HISTIDINES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-09 — — WO disclosed
EP-0403158-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 — — EP disclosed
EP-0403159-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 — — 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 (8 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-20020160985-A1 Medicament AGTR2, AGTR1, ACE AGTR1 2/4885AGTR2 1/4885ALDH1A1 932/4885
US-20020132840-A1 Treating angina in a mammal by administering an angiotensin II receptor antagonist. AGTR2, AGTR1, AGT AGTR1 2/4885AGTR2 1/4885ALDH1A1 1058/4885
US-20030187044-A1 Medicament AGTR2, AGTR1, ACE AGTR1 2/4885AGTR2 1/4885ALDH1A1 2570/4885
US-20030004201-A1 Medicament AGTR2, AGTR1, ACE AGTR1 2/4885AGTR2 1/4885ALDH1A1 1824/4885
US-20030166700-A1 Administering a substituted imidazoles to a mammal for the treatment of athroma progression and regression AGTR1, AGTR2, AGT AGTR1 1/4885AGTR2 2/4885ALDH1A1 650/4885
US-20030096851-A1 Medicament AGTR2, AGTR1, ACE AGTR1 2/4885AGTR2 1/4885ALDH1A1 2570/4885
US-20030050285-A1 Substituted imidazoles; angiotensin II receptor antagonist for the treatment of hemorrhagic stroke AGTR2, AGTR1, ACE AGTR1 2/4885AGTR2 1/4885ALDH1A1 782/4885
US-20030069293-A1 Medicament AGTR2, AGTR1, ACE AGTR1 2/4885AGTR2 1/4885ALDH1A1 932/4885

“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.

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