SCHEMBL648431

SCHEMBL648431

CCCCn1c(-c2ccccc2)nc(C(C)O)c1CNC(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
USP2 O75604 1/20 0.44
ALPG P10696 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.39
EDNRA P25101 4/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GFER P55789 1/20 0.37
TSHR P16473 1/20 0.35
OGA O60502 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL648795 0.89 C5AR1 (0.47) C5AR1USP2ALPGSMN1; SMN2LMNA
SCHEMBL4767009 0.88 C5AR1 (0.57) C5AR1USP2ALPGSMN1; SMN2LMNA
SCHEMBL649603 0.87 C5AR1 (0.49) C5AR1USP2ALPGSMN1; SMN2LMNA
Dimethylamine SCHEMBL653059 0.85 C5AR1 (0.47) C5AR1USP2ALPGSMN1; SMN2LMNA
SCHEMBL648978 0.84 C5AR1 (0.47) C5AR1USP2ALPGSMN1; SMN2LMNA
SCHEMBL648839 0.84 C5AR1 (0.49) C5AR1USP2ALPGSMN1; SMN2LMNA
SCHEMBL5632494 0.84 C5AR1 (0.47) C5AR1USP2ALPGSMN1; SMN2LMNA
SCHEMBL649207 0.82 C5AR1 (0.49) C5AR1USP2ALPGSMN1; SMN2LMNA
SCHEMBL649051 0.81 C5AR1 (0.47) C5AR1USP2ALPGSMN1; SMN2LMNA
SCHEMBL648833 0.81 C5AR1 (0.58) C5AR1USP2ALPGSMN1; SMN2LMNA

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 C5AR1 2/4885USP2 3195/4885ALPG 4741/4885

“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.