SCHEMBL652877

SCHEMBL652877

CCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.66
KDM4E B2RXH2 4/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL5136954 0.94 C5AR1 (0.60) C5AR1KDM4EGFERSMN1; SMN2TDP1
SCHEMBL4767016 0.94 C5AR1 (0.75) C5AR1KDM4EGFERSMN1; SMN2TDP1
SCHEMBL649430 0.94 C5AR1 (0.58) C5AR1KDM4EGFERSMN1; SMN2TDP1
SCHEMBL649868 0.93 C5AR1 (0.66) C5AR1KDM4EGFERSMN1; SMN2TDP1
SCHEMBL5135929 0.92 C5AR1 (0.72) C5AR1KDM4EGFERSMN1; SMN2TDP1
SCHEMBL648490 0.92 C5AR1 (0.62) C5AR1KDM4EGFERSMN1; SMN2TDP1
SCHEMBL649255 0.92 C5AR1 (0.71) C5AR1KDM4EGFERSMN1; SMN2TDP1
SCHEMBL649645 0.91 C5AR1 (0.70) C5AR1KDM4ESMN1; SMN2TDP1TSHR
SCHEMBL648372 0.91 C5AR1 (0.70) C5AR1KDM4ESMN1; SMN2TDP1TSHR
SCHEMBL651182 0.91 C5AR1 (0.56) C5AR1KDM4EGFERSMN1; SMN2TDP1

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-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-22 US claimed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 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 (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-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components C5AR1, C5AR2, C3AR1 C5AR1 1/4885KDM4E 4645/4885GFER 1907/4885

“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.