SCHEMBL4864745

SCHEMBL4864745

CC(C)(CCCO)n1cnc(-c2cccnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.52
CYP2C19 P33261 4/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2E1 P05181 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2B6 P20813 3/20 0.52
CYP2D6 P10635 2/20 0.45
MAPT P10636 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
DUSP10 Q9Y6W6 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
FYN P06241 2/20 0.37
TLR8 Q9NR97 1/20 0.37
EGFR P00533 2/20 0.36
KMO O15229 1/20 0.36

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
SCHEMBL4870330 0.88 CYP2A6 (0.52) CYP2A6CYP2C19CYP3A4CYP2E1CYP2C9
SCHEMBL4870983 0.81 CYP2A6 (0.48) CYP2A6CYP2C19CYP3A4CYP2E1CYP2C9
SCHEMBL4866796 0.81 CYP2A6 (0.47) CYP2A6CYP2C19CYP3A4CYP2E1CYP2C9
SCHEMBL5507651 0.81 CYP2A6 (0.56) CYP2A6CYP2C19CYP3A4CYP2E1CYP2C9
SCHEMBL4869247 0.79 CYP2A6 (0.59) CYP2A6CYP2C19CYP3A4CYP2E1CYP2C9
SCHEMBL5717914 0.76 CYP2A6 (0.65) CYP2A6CYP2C19CYP3A4CYP2E1CYP2C9
SCHEMBL5717508 0.75 CYP2A6 (0.63) CYP2A6CYP2C19CYP3A4CYP2E1CYP2C9
SCHEMBL4862008 0.74 CYP2A6 (0.54) CYP2A6CYP2C19CYP3A4CYP2E1CYP2C9
SCHEMBL5504375 0.72 CYP2A6 (0.66) CYP2A6CYP2C19CYP3A4CYP2E1CYP2C9
SCHEMBL5015514 0.72 CYP2A6 (0.70) CYP2A6CYP2C19CYP3A4CYP2E1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
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
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US disclosed
WO-2003004509-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2003-01-16 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD CYP2A6 57/4885CYP2C19 9/4885CYP3A4 30/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL CYP2A6 68/4885CYP2C19 30/4885CYP3A4 120/4885

“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.