SCHEMBL4764243

SCHEMBL4764243

CCCCn1c(CN(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)cnc1-c1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F2R P25116 2/20 0.44
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 2/20 0.39
RAB9A P51151 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GFER P55789 1/20 0.38
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL5136878 0.97 C5AR1 (0.51) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL4769360 0.90 C5AR1 (0.49) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL647999 0.89 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL14415530 0.88 C5AR1 (0.49) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL5136542 0.87 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL5134857 0.87 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL5137685 0.87 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL5136893 0.87 C5AR1 (0.50) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL4764298 0.86 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
Fluoride SCHEMBL5136988 0.85 C5AR1 (0.47) C5AR1SMN1; SMN2LMNAL3MBTL1F2R

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 12 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
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-22 US claimed
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 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-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
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
US-6884815-B1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2005-04-26 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 4522/4885LMNA 4770/4885
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components C5AR1, C5AR2, C3AR1 C5AR1 1/4885SMN1; SMN2 1069/4885LMNA 2622/4885

“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.