SCHEMBL4274078

SCHEMBL4274078

O=C(O)N1CCC(NCc2nc3c(F)cc(F)cc3[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.41
PARP2 Q9UGN5 5/20 0.41
EGLN1 Q9GZT9 1/20 0.39
DGAT1 O75907 2/20 0.38
KCNH2 Q12809 2/20 0.38
ADORA2A P29274 1/20 0.38
F10 P00742 1/20 0.37
DRD4 P21917 1/20 0.36
CACNA1H O95180 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
SOAT1 P35610 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL6485031 0.83 F10 (0.37) PARP1PARP2EGLN1DGAT1KCNH2
SCHEMBL13857006 0.75 SLC2A1 (0.48) KCNH2
SCHEMBL20766340 0.72 BCHE (0.62) DRD4BCHEACHEBACE1DRD2
SCHEMBL5772093 0.71 SLC2A1 (0.47) KCNH2
SCHEMBL17437367 0.70 CCNA2 (0.42) PARP1PARP2EGLN1F10CACNA1H
SCHEMBL3712791 0.68 ACHE (0.60) DRD4BCHEACHEBACE1
SCHEMBL4270492 0.68 SLC2A1 (0.50) DRD4BCHEACHEBACE1DRD2
SCHEMBL17437470 0.68 CACNA1H (0.49) PARP1PARP2EGLN1F10CACNA1H
SCHEMBL4273993 0.67 SSTR3 (0.55) DRD4
SCHEMBL16795340 0.66 BCHE (0.46) DRD4BCHEACHEBACE1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US claimed
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP claimed
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. 2006-01-19 US claimed
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US disclosed
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP disclosed
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. 2006-01-19 US disclosed
EP-1305308-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-05-02 EP disclosed
WO-2002008224-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 2002-01-31 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-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity AZI2, NPEPPS, AMPD2 PARP1 1009/4885PARP2 1668/4885EGLN1 3079/4885

“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.