SCHEMBL1346377

SCHEMBL1346377

CCOC(=O)CNc1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
NLRP3 Q96P20 1/20 0.50
MAPT P10636 5/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.40
SYK P43405 1/20 0.40
MAPK1 P28482 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
PKM P14618 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL3592533 0.91 LMNA (0.57) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL31657581 0.85 LMNA (0.52) LMNAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL9955398 0.85 LMNA (0.52) LMNANLRP3MAPTKDM4EALDH1A1
SCHEMBL2024670 0.84 NLRP3 (0.52) LMNANLRP3MAPTALDH1A1SMN1; SMN2
SCHEMBL9955508 0.80 LMNA (0.52) LMNANLRP3MAPTKDM4EALDH1A1
SCHEMBL3450046 0.79 TDP1 (0.44) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL16792371 0.78 NLRP3 (0.48) LMNANLRP3MAPTKDM4EALDH1A1
SCHEMBL29005381 0.78 NLRP3 (0.45) LMNANLRP3MAPTKDM4EALDH1A1
SCHEMBL1346463 0.78 LMNA (0.50) LMNAMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL3670571 0.77 TOP2A (0.53) LMNAMAPTKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
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
CN-1968947-A Heterocyclic condensed compounds useful as antidiuretic agents FERRING BV (NL) 2007-05-23 CN 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 LMNA 2498/4885NLRP3 3488/4885MAPT 4414/4885

“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.