SCHEMBL650048

SCHEMBL650048

CCCCN(Cc1ccc(OC(F)F)cc1Cl)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
HDAC1 Q13547 1/20 0.36
DRD2 P14416 4/20 0.35
DRD3 P35462 4/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ATP4A P20648 3/20 0.35
ATP4B P51164 3/20 0.35
CRHR1 P34998 2/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL651780 0.93 C5AR1 (0.40) C5AR1PPARGPPARACRHR1TSHR
SCHEMBL652540 0.86 C5AR1 (0.40) C5AR1PPARGPPARACRHR1TSHR
SCHEMBL650283 0.86 C5AR1 (0.42) C5AR1DRD2DRD3PPARGPPARA
SCHEMBL649835 0.86 P2RX7 (0.43) C5AR1HDAC1CRHR1TSHRALDH1A1
SCHEMBL5137835 0.86 C5AR1 (0.43) C5AR1HDAC1CRHR1TSHRALDH1A1
SCHEMBL650071 0.86 C5AR1 (0.37) C5AR1PPARGPPARACYP3A4
SCHEMBL651691 0.85 C5AR1 (0.42) C5AR1HDAC1PPARGPPARAATP4A
SCHEMBL5134518 0.85 MAPT (0.39) C5AR1DRD2DRD3ATP4AATP4B
SCHEMBL5137492 0.84 C5AR1 (0.42) C5AR1HDAC1DRD2DRD3CRHR1
SCHEMBL5135155 0.84 C5AR1 (0.42) C5AR1HDAC1CRHR1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-22 US 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
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 1/4885HDAC1 1206/4885DRD2 2815/4885

“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.