SCHEMBL649268

SCHEMBL649268

CCCCn1c(-c2ccccc2)nc(-c2ccc(OC)cc2)c1CC(NCc1ccc(C(=O)OC(C)(C)C)c(OC(C)=O)c1)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MCHR1 Q99705 1/20 0.32
MEN1 O00255 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR2 Q13324 1/20 0.32
TP53 P04637 2/20 0.32
MDM2 Q00987 1/20 0.32
BCHE P06276 4/20 0.32
CD274 Q9NZQ7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PDE6D O43924 1/20 0.31
ACHE P22303 1/20 0.31
C5AR1 P21730 1/20 0.31

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
SCHEMBL649269 0.83 C5AR1 (0.36) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL649270 0.83 ACHE (0.36) ALDH1A1KDM4EHPGDNPSR1MCHR1
SCHEMBL4769324 0.79 C5AR1 (0.39) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL651696 0.75 PDE4B (0.36) ALDH1A1MAPTLMNANPSR1MEN1
SCHEMBL10289126 0.75 C5AR1 (0.36) ALDH1A1MAPTLMNANPSR1MCHR1
SCHEMBL648473 0.74 C5AR1 (0.37) ALDH1A1MAPTLMNANPSR1MCHR1
SCHEMBL4764000 0.73 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL648898 0.72 LMNA (0.36) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL648736 0.71 ATM (0.36) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL651079 0.71 AGTR1 (0.34) ALDH1A1HPGDLMNAMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 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 (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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 ALDH1A1 3370/4885MAPT 4563/4885KDM4E 2551/4885

“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.