SCHEMBL5717569

SCHEMBL5717569

COC(=O)CCn1cnc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.48
PDE10A Q9Y233 1/20 0.44
CYP2E1 P05181 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2A6 P11509 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4C Q9H3R0 3/20 0.43
KDM4A O75164 2/20 0.43
CYP2D6 P10635 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MITF O75030 1/20 0.42
S1PR4 O95977 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
S1PR1 P21453 1/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42

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
SCHEMBL5211381 0.87 CYP2A6 (0.63) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL4418553 0.86 ALDH1A1 (0.59) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL27582586 0.86 SMN1; SMN2 (0.52) LTB4RCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL4419291 0.84 PDE10A (0.49) LTB4RPDE10ACYP2E1CYP3A4CYP2A6
SCHEMBL2182496 0.81 PDE10A (0.47) LTB4RPDE10ACYP2E1CYP3A4CYP2A6
SCHEMBL8097386 0.81 PDE10A (0.43) PDE10ACYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL5319798 0.80 MIF (0.46) ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL4430505 0.80 TSHR (0.52) ALDH1A1SMN1; SMN2HPGDHTTRAB9A
SCHEMBL5717525 0.80 PDE10A (0.46) PDE10ACYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL5717535 0.80 CYP2A6 (0.60) LTB4RCYP2E1CYP3A4CYP2A6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
CN-1492874-A Macrolide antibiotics 2004-04-28 CN disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 LTB4R 267/4885PDE10A 3107/4885CYP2E1 651/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 LTB4R 267/4885PDE10A 3107/4885CYP2E1 651/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 LTB4R 547/4885PDE10A 3708/4885CYP2E1 494/4885

“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.