SCHEMBL443778

SCHEMBL443778

O=C(O)c1cccc(N(CCC2CCCCC2)Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.39
AGTR2 P50052 11/20 0.39
BRS3 P32247 1/20 0.39
PTGES O14684 1/20 0.38
CXCR4 P61073 1/20 0.36
CMKLR1 Q99788 1/20 0.36
LPAR1 Q92633 1/20 0.36
LTB4R2 Q9NPC1 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
SCHEMBL444122 0.87 LTB4R2 (0.43) AGTR1BRS3PTGESLTB4R2
SCHEMBL460880 0.87 AGTR1 (0.39) AGTR1AGTR2BRS3PTGESCXCR4
SCHEMBL443505 0.85 LPAR1 (0.45) AGTR1AGTR2LPAR1
SCHEMBL443676 0.85 LTB4R2 (0.42) AGTR1AGTR2LPAR1LTB4R2
SCHEMBL9590068 0.84 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL443604 0.83 NR1H4 (0.44)
SCHEMBL445920 0.83 PTPN1 (0.40) AGTR1AGTR2LPAR1LTB4R2
SCHEMBL444274 0.83 AGTR1 (0.42) AGTR1AGTR2LPAR1LTB4R2
SCHEMBL443876 0.81 LPAR1 (0.38) AGTR1AGTR2LPAR1
SCHEMBL447385 0.79 LPAR1 (0.44) 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 1990/4885AGTR2 2617/4885BRS3 4533/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 AGTR1 1990/4885AGTR2 2617/4885BRS3 4533/4885

“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.