SCHEMBL649270

SCHEMBL649270

CCCCn1c(-c2ccccc2)nc(-c2ccc(OC)cc2)c1CC1(CNCc2ccc(C(=O)OC(C)(C)C)c(OC(C)=O)c2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
BCHE P06276 3/20 0.32
CTSK P43235 1/20 0.32
C5AR1 P21730 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MCHR1 Q99705 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
PPARG P37231 1/20 0.30
ATM Q13315 2/20 0.30

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
SCHEMBL649268 0.83 ALDH1A1 (0.33) ACHEBCHEC5AR1KDM4EALDH1A1
SCHEMBL649269 0.81 C5AR1 (0.36) BCHEC5AR1KDM4EALDH1A1HPGD
SCHEMBL4771426 0.79 C5AR1 (0.39) BCHEC5AR1KDM4EALDH1A1HPGD
SCHEMBL10289126 0.72 C5AR1 (0.36) BCHEC5AR1ALDH1A1MCHR1MEN1
SCHEMBL648694 0.71 C5AR1 (0.39) BCHEC5AR1ALDH1A1SMN1; SMN2PPARG
SCHEMBL648473 0.71 C5AR1 (0.37) BCHEC5AR1ALDH1A1MCHR1MEN1
SCHEMBL1913054 0.69 C5AR1 (0.52) C5AR1KDM4EALDH1A1HPGDMEN1
SCHEMBL1913052 0.69 C5AR1 (0.37) BCHEC5AR1ALDH1A1MEN1KMT2A
SCHEMBL651022 0.68 C5AR1 (0.45) ACHEC5AR1KDM4EALDH1A1NPSR1
SCHEMBL10289127 0.67 BCHE (0.41) BCHEKDM4EALDH1A1HPGDMEN1

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 2 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

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 ACHE 2969/4885BCHE 3358/4885CTSK 2189/4885

“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.