SCHEMBL651054

SCHEMBL651054

CCCCn1c(-c2ccccc2)nc(-c2ccc(C)cc2)c1CN(Cc1ccc(C(=O)OC)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
AGTR1 P30556 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TSHR P16473 5/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL648086 0.97 C5AR1 (0.55) C5AR1SIRT2GSK3AGSK3BPTGES
SCHEMBL649699 0.94 C5AR1 (0.51) C5AR1SIRT2GSK3AGSK3BPTGES
SCHEMBL651607 0.94 C5AR1 (0.51) C5AR1SIRT2GSK3AGSK3BPTGES
SCHEMBL652444 0.94 C5AR1 (0.51) C5AR1SIRT2GSK3AGSK3BPTGES
SCHEMBL650615 0.94 C5AR1 (0.49) C5AR1SIRT2GSK3AGSK3BPTGES
SCHEMBL5136520 0.93 C5AR1 (0.61) C5AR1SIRT2ALDH1A1TSHRGAA
SCHEMBL650570 0.93 C5AR1 (0.55) C5AR1SIRT2PTGESALOX5CYP2C8
SCHEMBL1913112 0.92 C5AR1 (0.43) C5AR1SIRT2GSK3AGSK3BAGTR1
SCHEMBL648481 0.91 C5AR1 (0.48) C5AR1SIRT2GSK3AGSK3BPTGES
SCHEMBL648162 0.91 C5AR1 (0.48) C5AR1CYP2C8CYP2C9CYP2C19PTGDR2

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-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
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 1/4885SIRT2 2123/4885GSK3A 2284/4885

“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.