SCHEMBL651699

SCHEMBL651699

CCCCn1cnc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2A6 P11509 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2B6 P20813 2/20 0.50
CYP2C19 P33261 2/20 0.50
TLR8 Q9NR97 2/20 0.48
TSHR P16473 1/20 0.47
PDE10A Q9Y233 1/20 0.47
HPGDS O60760 1/20 0.47
CYP2D6 P10635 1/20 0.46
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL17874829 0.94 TLR8 (0.52) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL7990801 0.90 CYP2E1 (0.53) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL15923223 0.86 TLR8 (0.46) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL8921117 0.85 HPGDS (0.51) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2910946 0.84 CYP2E1 (0.67) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL4865849 0.83 CYP2E1 (0.49) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL5924494 0.83 PDE10A (0.47) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL12478490 0.83 CYP2A6 (0.76) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL4944561 0.82 HPGDS (0.49) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL8657334 0.82 PDE10A (0.46) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102137953-B Surface treating agent for copper or copper alloy and application thereof SHIKOKU CHEM 2014-05-07 CN 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-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8007767-B2 Amino methyl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-08-30 US disclosed
CN-102137953-A Surface treating agent for copper or copper alloy and application thereof SHIKOKU CHEM 2011-07-27 CN disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-20070212297-A1 Amino methyl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-13 US 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-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
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7169775-B2 Amino methyl imidazoles as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-01-30 US disclosed
CN-1646497-A Novel arylimidazoles and related compounds as modulators of the C5a receptor NEUROGEN CORP (US) 2005-07-27 CN disclosed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US disclosed
US-20040082577-A1 Amino methyl imidazoles as C5a receptor modulators NEUROGEN CORPORATION 2004-04-29 US disclosed
WO-2004018460-A1 AMINO METHYL IMIDAZOLES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-03-04 WO disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 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 (3 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-20040082577-A1 Amino methyl imidazoles as C5a receptor modulators C5AR1, C5AR2, C3AR1 CYP2E1 2484/4885CYP3A4 1279/4885CYP2A6 2314/4885
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 CYP2E1 568/4885CYP3A4 432/4885CYP2A6 844/4885
US-20070212297-A1 Amino methyl imidazoles and related compounds as C5a receptor modulators C5AR1, C3AR1, C5AR2 CYP2E1 2320/4885CYP3A4 1087/4885CYP2A6 2455/4885

“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.