SCHEMBL647774

SCHEMBL647774

CCCCc1c(C)ncnc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
GPR84 Q9NQS5 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PSMB5 P28074 1/20 0.40
TSHR P16473 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
ADORA2A P29274 1/20 0.40
TLR8 Q9NR97 3/20 0.39
DCTPP1 Q9H773 1/20 0.39
NR1H3 Q13133 1/20 0.39
SOAT1 P35610 1/20 0.38
GCGR P47871 1/20 0.38

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
SCHEMBL28754990 0.81 HSD11B1 (0.39) HSD11B1GPR84ALDH1A1MAPTNPSR1
SCHEMBL650101 0.81 ERBB2 (0.42) HSD11B1GPR84TSHRPIK3CAMTOR
SCHEMBL31526312 0.79 PIK3CA (0.44) ALDH1A1PIK3CAMTORADORA2AGCGR
SCHEMBL648635 0.75 KDM4E (0.49) HSD11B1GPR84ALDH1A1MAPTPSMB5
SCHEMBL19623517 0.74 MAPT (0.35) ALDH1A1MAPTADORA2A
SCHEMBL12495851 0.72 TLR8 (0.60) HSD11B1GPR84PSMB5ADORA2ATLR8
SCHEMBL649355 0.72 PDK1 (0.43) HSD11B1GPR84ALDH1A1MAPTNPSR1
SCHEMBL650305 0.72 GCGR (0.44) HSD11B1GPR84ALDH1A1MAPTNPSR1
SCHEMBL649610 0.71 AGTR1 (0.42) ALDH1A1MAPTTSHR
SCHEMBL10205904 0.71 ADORA2A (0.47) ALDH1A1MAPTPIK3CAMTORADORA2A

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 7 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
CN-1646497-A Novel arylimidazoles and related compounds as modulators of the C5a receptor NEUROGEN CORP (US) 2005-07-27 CN 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 HSD11B1 3281/4885GPR84 130/4885ALDH1A1 3370/4885

“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.