SCHEMBL4765728

SCHEMBL4765728

OCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CNC(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
EDNRA P25101 2/20 0.39
PTGFR P43088 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.36
USP2 O75604 1/20 0.36
ALPG P10696 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL4767009 0.90 C5AR1 (0.57) C5AR1PTGFRSMN1; SMN2HPGDGAA
SCHEMBL4766749 0.85 C5AR1 (0.44) C5AR1EDNRAPTGFRHPGDGAA
SCHEMBL650122 0.82 C5AR1 (0.49) C5AR1PTGFRSMN1; SMN2HPGDGAA
SCHEMBL648833 0.82 C5AR1 (0.58) C5AR1PTGFRSMN1; SMN2HPGDUSP2
SCHEMBL649207 0.81 C5AR1 (0.49) C5AR1PTGFRSMN1; SMN2HPGDGAA
SCHEMBL649603 0.80 C5AR1 (0.49) C5AR1EDNRAPTGFRSMN1; SMN2HPGD
SCHEMBL649051 0.80 C5AR1 (0.47) C5AR1EDNRAPTGFRSMN1; SMN2HPGD
SCHEMBL648839 0.80 C5AR1 (0.49) C5AR1EDNRASMN1; SMN2HPGDUSP2
SCHEMBL648431 0.80 C5AR1 (0.47) C5AR1EDNRASMN1; SMN2HPGDUSP2
SCHEMBL648795 0.79 C5AR1 (0.47) C5AR1EDNRASMN1; SMN2HPGDUSP2

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 9 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
EP-1322309-A4 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2004-10-13 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-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2003-07-02 EP claimed
WO-2002049993-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-06-27 WO claimed
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-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 (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 2/4885EDNRA 425/4885PTGFR 557/4885

“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.