SCHEMBL4766677

SCHEMBL4766677

CCCCn1c(CN(CCc2ccccc2)Cc2ccc3c(c2)OCO3)cnc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.56
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 3/20 0.45
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR1D P28221 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR7 P34969 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL5136535 0.97 C5AR1 (0.57) C5AR1HTR2AHTR2CHTR2BTP53
SCHEMBL5136897 0.97 C5AR1 (0.55) C5AR1HTR2AHTR2CHTR2BTP53
SCHEMBL5135111 0.96 C5AR1 (0.54) C5AR1HTR2AHTR2CHTR2BTP53
SCHEMBL5135700 0.95 C5AR1 (0.53) C5AR1HTR2AHTR2CHTR2BTP53
SCHEMBL5134794 0.95 C5AR1 (0.53) C5AR1HTR2AHTR2CHTR2BTP53
SCHEMBL5136702 0.94 C5AR1 (0.51) C5AR1HTR2AHTR2CHTR2BTP53
SCHEMBL4770879 0.94 C5AR1 (0.59) C5AR1HTR2AHTR2CHTR2BTP53
SCHEMBL4765554 0.94 C5AR1 (0.59) C5AR1HTR2AHTR2CHTR2BTP53
SCHEMBL5134963 0.94 C5AR1 (0.51) C5AR1HTR2AHTR2CHTR2BTP53
SCHEMBL5136131 0.94 C5AR1 (0.52) C5AR1HTR2AHTR2CHTR2BTP53

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 14 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
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-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
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 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
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 (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 2/4885HTR2A 263/4885HTR2C 317/4885
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components C5AR1, C5AR2, C3AR1 C5AR1 1/4885HTR2A 1145/4885HTR2C 1691/4885

“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.