SCHEMBL652475

SCHEMBL652475

CCCCn1c(-c2ccccc2)nc(-c2ccc(OC)cc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1cccc(OCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
NR1H3 Q13133 2/20 0.36
TLR7 Q9NYK1 1/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 4/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDE2A O00408 1/20 0.35
CALM1 P0DP23 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
BCHE P06276 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
PDE4B Q07343 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL649888 0.96 C5AR1 (0.40) C5AR1MAPTALDH1A1HTTBCHE
SCHEMBL650072 0.96 C5AR1 (0.41) C5AR1TLR7MAPTALDH1A1HTT
SCHEMBL1913033 0.95 TLR7 (0.39) C5AR1NR1H3TLR7MAPTCALM1
SCHEMBL652368 0.95 C5AR1 (0.39) C5AR1MAPTALDH1A1HTTTSHR
SCHEMBL648175 0.94 C5AR1 (0.39) C5AR1MAPTALDH1A1HTTBCHE
SCHEMBL649822 0.94 C5AR1 (0.39) C5AR1TLR7MAPTALDH1A1HTT
SCHEMBL649156 0.94 C5AR1 (0.42) C5AR1NR1H3TLR7MAPTALDH1A1
SCHEMBL648391 0.93 C5AR1 (0.38) C5AR1TLR7MAPTALDH1A1HTT
SCHEMBL652044 0.93 C5AR1 (0.43) C5AR1NR1H3TLR7MAPTALDH1A1
SCHEMBL649083 0.92 C5AR1 (0.42) C5AR1TLR7MAPTALDH1A1HTT

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
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
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 2/4885NR1H3 1229/4885TLR7 249/4885

“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.