SCHEMBL647985

SCHEMBL647985

CCCCN(Cc1ccc(C(=O)O)cc1)C(C)c1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
PIN1 Q13526 1/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
LTA4H P09960 1/20 0.37
AGTR1 P30556 2/20 0.37
AGTR2 P50052 2/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
ALOX5 P09917 1/20 0.36
TSSK1B Q9BXA7 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 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
SCHEMBL647984 1.00 C5AR1 (0.42) C5AR1PIN1LTB4R2TSHRKDM4E
SCHEMBL650430 1.00 C5AR1 (0.42) C5AR1PIN1LTB4R2TSHRKDM4E
SCHEMBL1912806 0.93 C5AR1 (0.41) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL647694 0.93 JAK2 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL647693 0.93 JAK2 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL652002 0.93 JAK2 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL650681 0.91 LPAR1 (0.40) C5AR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL650693 0.91 LPAR1 (0.40) C5AR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1913632 0.87 C5AR1 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL4763885 0.87 C5AR1 (0.42) C5AR1PIN1TSHRKDM4EALDH1A1

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-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 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
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
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 (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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 C5AR1 2/4885PIN1 4000/4885LTB4R2 42/4885

“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.