SCHEMBL460880

SCHEMBL460880

O=C(O)c1cccc(N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)OCCCC2CCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.39
BRS3 P32247 1/20 0.36
PTGES O14684 1/20 0.35
AGTR2 P50052 4/20 0.35
LTB4R2 Q9NPC1 3/20 0.35
LPAR1 Q92633 2/20 0.34
BMP1 P13497 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CXCR4 P61073 1/20 0.33
CMKLR1 Q99788 1/20 0.33

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
SCHEMBL443778 0.87 AGTR1 (0.39) AGTR1BRS3PTGESAGTR2LTB4R2
SCHEMBL444122 0.84 LTB4R2 (0.43) AGTR1BRS3PTGESLTB4R2
SCHEMBL443604 0.80 NR1H4 (0.44)
SCHEMBL446830 0.77 LTB4R2 (0.53) AGTR1LTB4R2LPAR1
SCHEMBL443676 0.77 LTB4R2 (0.42) AGTR1AGTR2LTB4R2LPAR1
SCHEMBL445920 0.74 PTPN1 (0.40) AGTR1AGTR2LTB4R2LPAR1
SCHEMBL444274 0.74 AGTR1 (0.42) AGTR1AGTR2LTB4R2LPAR1
SCHEMBL9590068 0.74 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL446384 0.74 LTB4R2 (0.53) AGTR1LTB4R2
SCHEMBL443505 0.74 LPAR1 (0.45) AGTR1AGTR2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335517-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA RENASCIENCE CO LTD (JP) 2014-11-13 US disclosed
US-8809329-B2 Detection and treatment of schizophrenia TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-08-19 US disclosed
EP-2662453-A2 Detection and treatment of schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2013-11-13 EP disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
US-20110028470-A1 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-02-03 US disclosed
EP-2189537-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-05-26 EP 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-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 AGTR1 1990/4885BRS3 4533/4885PTGES 514/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 AGTR1 1990/4885BRS3 4533/4885PTGES 514/4885

“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.