SCHEMBL4764309

SCHEMBL4764309

CCCCn1c(C(C)N(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)cnc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
F2R P25116 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
CTSL P07711 2/20 0.38
ELANE P08246 1/20 0.36
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 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
SCHEMBL14415577 0.97 C5AR1 (0.52) C5AR1HSP90AA1HSP90AB1F2RSMN1; SMN2
SCHEMBL5134563 0.92 C5AR1 (0.60) C5AR1HSP90AA1HSP90AB1F2RSMN1; SMN2
SCHEMBL5137863 0.91 C5AR1 (0.45) C5AR1HSP90AA1HSP90AB1F2RSMN1; SMN2
SCHEMBL1912763 0.90 C5AR1 (0.58) C5AR1HSP90AA1HSP90AB1F2RSMN1; SMN2
SCHEMBL5134627 0.87 C5AR1 (0.55) C5AR1HSP90AA1HSP90AB1F2RSMN1; SMN2
SCHEMBL4766728 0.83 C5AR1 (0.51) C5AR1HSP90AA1HSP90AB1F2RSMN1; SMN2
SCHEMBL5136213 0.82 C5AR1 (0.50) C5AR1HSP90AA1HSP90AB1F2RSMN1; SMN2
SCHEMBL5135964 0.82 C5AR1 (0.47) C5AR1HSP90AA1HSP90AB1F2RSMN1; SMN2
SCHEMBL650881 0.81 C5AR1 (0.58) C5AR1HSP90AA1HSP90AB1F2RSMN1; SMN2
SCHEMBL5147409 0.81 C5AR1 (0.54) C5AR1HSP90AA1HSP90AB1F2RSMN1; SMN2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP claimed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US claimed
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
WO-2008011990-A2 SYNERGISTIC INSECTICIDAL MIXTURES BAYER CROPSCIENCE AG (DE) 2008-01-31 WO 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-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
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
EP-1478644-A1 SUBSTITUTED 4-PYRAZOLYL PYRAZOLINES USED FOR PEST CONTROL Bayer CropScience AG (DE) 2004-11-24 EP disclosed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US disclosed
EP-1392695-A2 TRIAZOLOPYRIMIDINES Bayer CropScience AG (DE) 2004-03-03 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed
WO-2003070724-A1 SUBSTITUTED 4-PYRAZOLYL PYRAZOLINES USED FOR PEST CONTROL BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-28 WO disclosed
EP-1311496-A1 HETEROCYCLIC FLUOROALKENYL THIOETHERS AND THE USE THEREOF AS PESTICIDES (III) Bayer CropScience AG (DE) 2003-05-21 EP disclosed
WO-2002088127-A2 TRIAZOLOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2002-11-07 WO disclosed
WO-2002006257-A1 HETEROCYCLIC FLUOROALKENYL THIOETHERS AND THE USE THEREOF AS PESTICIDES (III) BAYER CROPSCIENCE AG (DE) 2002-01-24 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 2/4885HSP90AA1 4793/4885HSP90AB1 4825/4885

“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.