SCHEMBL1345971

SCHEMBL1345971

CC(C)(C)OC(=O)N1CCNC(=O)c2cccc(F)c21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ SCN5A Q14524 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ PDK4 Q16654 1/20 0.39
▸ PARP1 P09874 7/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ PIM1 P11309 7/20 0.38
▸ PIM2 Q9P1W9 7/20 0.38
▸ GRM5 P41594 2/20 0.38
▸ GRM1 Q13255 2/20 0.38

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
SCHEMBL8269480 0.83 PARP1 (0.45) PARP1
SCHEMBL26090855 0.82 PDK4 (0.43) SCN5ASCN9APDK4PARP1TNKS2
SCHEMBL31139432 0.82 PDK4 (0.43) SCN5ASCN9APDK4PARP1TNKS2
SCHEMBL1346305 0.81 SCN9A (0.41) SCN5ASCN9APDK4PARP1TNKS2
SCHEMBL4129240 0.74 MAPK1 (0.43) MAPK1PIM1PIM2
SCHEMBL31357123 0.73 MAPK1 (0.53) MAPK1
SCHEMBL31170824 0.73 MAPK1 (0.53) MAPK1
SCHEMBL4511304 0.72 MAPK1 (0.46) MAPK1
SCHEMBL8883453 0.72 HTT (0.46) MAPK1SCN5ASCN9A
SCHEMBL16486497 0.71 PIM1 (0.57) PIM1PIM2

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-8063038-B2 vasopressin V2 receptor agonists for treating nocturnal enuresis, nocturia, diabetes insipidus, urinary incontinence and bleeding disorders; {1-[4-(5H,11H-Benzo[e]pyrrolo[1,2- alpha ][1,4]diazepine-10-carbonyl)-2-methylbenzylcarbamoyl]-8-fluoro-1,2,3,4-tetrahydroquinolin-4-yl}acetic acid ethyl ester VANTIA LIMITED (GB) 2011-11-22 — — US disclosed
EP-1778677-B1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS VANTIA LTD (GB) 2010-02-03 — — EP disclosed
US-20080234250-A1 Heterocyclic Condensed Compounds Useful as Antidiuretic Agents FERRING B.V. 2008-09-25 — — US disclosed
EP-1778677-A1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS Ferring B.V. (NL) 2007-05-02 — — EP disclosed
WO-2006018443-A1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS FERRING B.V. (NL) 2006-02-23 — — WO disclosed
EP-1627876-A1 Heterocyclic condensed compounds useful as antidiuretic agents FERRING B.V. (NL) 2006-02-22 — — 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 (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-20080234250-A1 Heterocyclic Condensed Compounds Useful as Antidiuretic Agents AVPR2, AVPR1A, AVPR1B MAPK1 2149/4885SCN5A 994/4885SCN9A 1391/4885

“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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