SCHEMBL6639773

SCHEMBL6639773

NC(=O)C1CCCOc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
DPP4 P27487 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
ITGAV P06756 1/20 0.37
ITGB6 P18564 1/20 0.37
MAPK1 P28482 2/20 0.36
SLC9A1 P19634 2/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
SSTR4 P31391 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC9A5 Q14940 1/20 0.35
SLC9A2 Q9UBY0 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5849114 0.90 ATM (0.47) ATMDPP4ITGAVITGB6MAPK1
SCHEMBL30241060 0.90 ATM (0.47) ATMDPP4ITGAVITGB6MAPK1
SCHEMBL5392581 0.90 ATM (0.47) ATMDPP4ITGAVITGB6MAPK1
SCHEMBL31085320 0.90 ATM (0.47) ATMDPP4ITGAVITGB6MAPK1
SCHEMBL5392565 0.90 ATM (0.47) ATMDPP4ITGAVITGB6MAPK1
SCHEMBL31085324 0.90 ATM (0.47) ATMDPP4ITGAVITGB6MAPK1
SCHEMBL7420482 0.85 NPC1 (0.40) DPP4ITGAVITGB6MAPK1ITGB2
SCHEMBL2172670 0.80 ATM (0.50) ATMTRPM8CYP2C9
Hydrochloric Acid SCHEMBL28129485 0.78 ATM (0.49) ATMTRPM8CYP2C9
SCHEMBL769058 0.75 SSTR4 (0.41) ITGB2ICAM1ITGALSSTR4GAA

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
EP-0984967-B1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS IAF BIOCHEM INT (CA) 2004-02-25 EP claimed
EP-1037633-B1 ANTIVIRAL COMPOUNDS IAF BIOCHEM INT (CA) 2003-09-10 EP claimed
US-20010031765-A1 Antiviral compounds BIOCHEM PHARMA INC. 2001-10-18 US claimed
US-6255318-B1 CYTOMEGLO VIRUS BIOCHEM PHARMA INC. (CA) 2001-07-03 US claimed
US-6534520-B2 Antiviral compounds BIOCHEM PHARMA INC. (CA) 2003-03-18 US disclosed
US-20010031765-A1 Antiviral compounds BIOCHEM PHARMA INC. 2001-10-18 US disclosed
US-6255318-B1 CYTOMEGLO VIRUS BIOCHEM PHARMA INC. (CA) 2001-07-03 US disclosed
EP-0984967-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS BIOCHEM PHARMA INC (CA) 2000-03-15 EP disclosed
WO-1997034894-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS BIOCHEM PHARMA INC. (CA) 1997-09-25 WO 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-20010031765-A1 Antiviral compounds ZC3HAV1, IFNAR1, EIF2AK2 ATM 4583/4885DPP4 311/4885SIRT2 1344/4885

“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.