SCHEMBL4282967

SCHEMBL4282967

COc1ccc2nccc(NC(=O)N3CCC(N)CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
MTNR1B P49286 3/20 0.47
LMNA P02545 1/20 0.46
KCNH2 Q12809 1/20 0.46
PDGFRB P09619 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
RIPK2 O43353 2/20 0.45
KDR P35968 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAK O14976 1/20 0.44
COQ8A Q8NI60 1/20 0.44
NLK Q9UBE8 1/20 0.44
MCHR1 Q99705 1/20 0.43
DDR2 Q16832 1/20 0.43

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
SCHEMBL13857011 0.88 KCNH2 (0.47) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL4268442 0.83 ATM (0.48) MTNR1BKCNH2ALDH1A1MCHR1ATM
SCHEMBL4269605 0.79 KCNH2 (0.45) LMNAKCNH2ATM
SCHEMBL13857012 0.77 SLC2A1 (0.55) MTNR1BKCNH2POLBKDR
SCHEMBL11458637 0.76 HTR1A (0.60) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL4752616 0.76 HTR1A (0.57) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL23360554 0.76 MCHR1 (0.53) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL23360556 0.76 MCHR1 (0.53) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL4269255 0.75 HTR1A (0.50) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL7467844 0.74 MAPT (0.75) LMNAALDH1A1CYP2D6

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 7 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 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
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
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 KDM4E 2544/4885HTR1A 796/4885ADRA1D 376/4885
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity AZI2, NPEPPS, AMPD2 KDM4E 1730/4885HTR1A 1465/4885ADRA1D 635/4885

“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.