SCHEMBL4268776

SCHEMBL4268776

O=C(O)N1CCC(NCc2cnc3cccc(O)c3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
DRD4 P21917 2/20 0.38
CD274 Q9NZQ7 2/20 0.37
PDCD1 Q15116 1/20 0.37
ACHE P22303 3/20 0.37
BCHE P06276 2/20 0.37
BACE1 P56817 2/20 0.37
CXCR4 P61073 1/20 0.37
FAAH O00519 3/20 0.35
DHFR P00374 1/20 0.35
TACR1 P25103 3/20 0.35
TACR3 P29371 1/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
LTA4H P09960 1/20 0.33

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
SCHEMBL4268453 0.91 DRD4 (0.38) HCAR2DRD4CD274PDCD1ACHE
SCHEMBL13857008 0.73 FAAH (0.42) HCAR2FAAH
SCHEMBL3988676 0.71 CXCR4 (0.39) DRD4ACHEBCHEBACE1CXCR4
SCHEMBL13271204 0.70 ACHE (0.47) HCAR2ACHE
SCHEMBL13439500 0.69 ACHE (0.46) HCAR2CD274PDCD1ACHE
SCHEMBL377906 0.69 DRD4 (0.64) DRD4ACHEBCHEBACE1CXCR4
SCHEMBL13348677 0.68 ACHE (0.44) HCAR2ACHEDHFR
SCHEMBL16795397 0.68 DRD4 (0.53) DRD4ACHEBCHEBACE1
SCHEMBL16538448 0.67 JAK3 (0.52)
SCHEMBL5260947 0.67 KMT2A (0.43) ACHEBCHELTA4H

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
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US 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
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. 2006-01-19 US disclosed
US-6962917-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2005-11-08 US disclosed
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 US disclosed
CN-1452619-A Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM PLC (GB) 2003-10-29 CN 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 (2 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-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity AZI2, AMPD2, AMPD1 HCAR2 2820/4885DRD4 431/4885CD274 3358/4885
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity AZI2, NPEPPS, AMPD2 HCAR2 2946/4885DRD4 560/4885CD274 3208/4885

“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.