SCHEMBL4865849

SCHEMBL4865849

[CH2]CCCn1cnc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 3/20 0.49
CYP2A6 P11509 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2B6 P20813 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 1/20 0.49
PDE10A Q9Y233 1/20 0.47
HPGDS O60760 1/20 0.47
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NLRP3 Q96P20 1/20 0.41
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.38
PRNP P04156 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL8830178 0.94 PDE10A (0.45) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL4865471 0.90 PDE10A (0.49) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL8921117 0.85 HPGDS (0.51) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL5014459 0.84 CYP2A6 (0.68) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL9219546 0.84 QPCT (0.43) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL27368362 0.84 MAP4K4 (0.39) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL651699 0.83 CYP2E1 (0.50) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL5924494 0.83 PDE10A (0.47) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL15064954 0.83 CYP11B1 (0.41) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL4944561 0.82 HPGDS (0.49) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1373767-A Ketolide antibacterials ORTHO MCNEIL PHARM INC (US) 2002-10-09 CN claimed
US-6399582-B1 GASTROINTESTINAL DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-06-04 US claimed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 EP claimed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 WO claimed
CN-1052984-C Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 2000-05-31 CN claimed
CN-1151746-A Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1997-06-11 CN claimed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
EP-1618119-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
WO-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2004-11-11 WO disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
EP-1404693-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2004-04-07 EP disclosed
EP-1345953-A2 KETOLIDE ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-24 EP disclosed
US-6399582-B1 GASTROINTESTINAL DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-06-04 US disclosed
WO-2002032918-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-04-25 WO disclosed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 EP disclosed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 WO disclosed
CN-1052984-C Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 2000-05-31 CN disclosed
CN-1229082-A Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 1999-09-22 CN disclosed
CN-1151746-A Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1997-06-11 CN 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD CYP2E1 323/4885CYP2A6 57/4885CYP2C9 10/4885

“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.