SCHEMBL648481

SCHEMBL648481

CCCCn1c(-c2ccccc2)nc(-c2cccc(F)c2)c1CN(Cc1ccc(C(=O)OC)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.48
PTGDR2 Q9Y5Y4 5/20 0.38
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GABRA5 P31644 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
LMNA P02545 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL651607 0.94 C5AR1 (0.51) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL648086 0.94 C5AR1 (0.55) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL650615 0.93 C5AR1 (0.49) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL650669 0.93 C5AR1 (0.51) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL648162 0.92 C5AR1 (0.48) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL651054 0.91 C5AR1 (0.52) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL649699 0.90 C5AR1 (0.51) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL652444 0.90 C5AR1 (0.51) C5AR1PPARGPPARAMAPTSIRT2
SCHEMBL5136520 0.89 C5AR1 (0.61) C5AR1PPARGPPARATSHRMAPT
SCHEMBL651293 0.88 C5AR1 (0.49) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19

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 6 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
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

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 1/4885PTGDR2 779/4885CYP2C8 2939/4885

“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.