SCHEMBL650156

SCHEMBL650156

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc2[nH]ncc2c1)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
GRIN2B Q13224 6/20 0.39
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ROCK2 O75116 5/20 0.35
JAK2 O60674 2/20 0.34
PIM1 P11309 2/20 0.34
AURKB Q96GD4 2/20 0.34
AURKA O14965 1/20 0.34
CHUK O15111 1/20 0.34
MAPK13 O15264 1/20 0.34
DAPK3 O43293 1/20 0.34
CHEK2 O96017 1/20 0.34
PRKCG P05129 1/20 0.34
CDK1 P06493 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
CDK2 P24941 1/20 0.34
MARK3 P27448 1/20 0.34

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
SCHEMBL648238 0.94 C5AR1 (0.38) C5AR1GRIN2BSLC6A2SLC6A4SLC6A3
SCHEMBL5135713 0.86 C5AR1 (0.44) C5AR1MAPK1HDAC1KDM4EALDH1A1
SCHEMBL5137864 0.86 C5AR1 (0.44) C5AR1MAPK1HDAC1KDM4EALDH1A1
SCHEMBL5134999 0.85 C5AR1 (0.44) C5AR1MAPK1HDAC1KDM4EALDH1A1
SCHEMBL5134910 0.85 C5AR1 (0.44) C5AR1MAPK1HDAC1KDM4EALDH1A1
SCHEMBL648662 0.85 C5AR1 (0.43) C5AR1GRIN2BSLC6A2SLC6A4SLC6A3
SCHEMBL5136646 0.85 C5AR1 (0.45) C5AR1SLC6A2SLC6A4SLC6A3HDAC1
SCHEMBL5135166 0.85 C5AR1 (0.45) C5AR1HDAC1KDM4EALDH1A1CYP3A4
SCHEMBL4763715 0.84 C5AR1 (0.46) C5AR1HDAC1KDM4EALDH1A1CYP3A4
SCHEMBL651501 0.84 C5AR1 (0.44) C5AR1MAPK1HDAC1KDM4EALDH1A1

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 9 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-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-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
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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 C5AR1 2/4885GRIN2B 726/4885SLC6A2 3353/4885

“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.