SCHEMBL5135220

SCHEMBL5135220

CCCCn1c(CN(Cc2ccc(Cl)c(Cl)c2)Cc2ccc3c(c2)OCO3)cnc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
F2R P25116 2/20 0.37
ADORA2A P29274 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 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
SCHEMBL4763750 0.94 C5AR1 (0.52) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL5135479 0.94 C5AR1 (0.55) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL647999 0.94 C5AR1 (0.62) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL5134951 0.93 C5AR1 (0.53) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL5135216 0.92 C5AR1 (0.55) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL5137416 0.92 C5AR1 (0.56) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL5134857 0.92 C5AR1 (0.60) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL5136907 0.91 C5AR1 (0.55) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL5136174 0.90 C5AR1 (0.58) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL5073883 0.90 C5AR1 (0.58) C5AR1SMN1; SMN2TDP1L3MBTL1LMNA

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
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 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-20070027158-A1 High affinity small molecule C5a receptor modulators C3AR1, C5AR1, C5AR2 C5AR1 2/4885SMN1; SMN2 4522/4885TDP1 4472/4885

“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.