SCHEMBL650047

SCHEMBL650047

CCCCN(Cc1ccc2c(c1)OCCO2)Cc1c(Cl)nc(-c2ccccc2C)n1CCCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.44
F2R P25116 2/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CRHR1 P34998 2/20 0.36
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
TSHR P16473 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BCHE P06276 1/20 0.33
CYP2D6 P10635 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
SCHEMBL1913104 0.93 C5AR1 (0.42) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL649702 0.91 C5AR1 (0.40) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL648683 0.91 C5AR1 (0.42) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL650495 0.90 C5AR1 (0.52) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL649257 0.89 C5AR1 (0.56) C5AR1LMNASMN1; SMN2L3MBTL1CRHR1
SCHEMBL1913110 0.89 C5AR1 (0.39) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL1913100 0.88 C5AR1 (0.42) C5AR1LMNATSHRPTGDR2MEN1
SCHEMBL648590 0.87 C5AR1 (0.40) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL652326 0.87 C5AR1 (0.40) C5AR1F2RLMNASMN1; SMN2L3MBTL1
SCHEMBL652538 0.86 C5AR1 (0.39) C5AR1LMNASMN1; SMN2L3MBTL1TSHR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP claimed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP claimed
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-22 US claimed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO 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
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 1/4885F2R 11/4885LMNA 2622/4885

“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.