SCHEMBL447385

SCHEMBL447385

COc1ccc(CCN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2cccc(C(=O)O)c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
HTT P42858 1/20 0.39
PDE4D Q08499 1/20 0.39
AGTR1 P30556 3/20 0.39
AGTR2 P50052 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
PTGDR Q13258 1/20 0.38

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
SCHEMBL443615 0.94 TAS2R14 (0.44) LPAR1L3MBTL1TAS2R14HTTAGTR1
SCHEMBL443505 0.89 LPAR1 (0.45) LPAR1F2PRSS1PRSS2PRSS3
SCHEMBL9590068 0.84 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL443676 0.84 LTB4R2 (0.42) LPAR1AGTR1AGTR2
SCHEMBL443876 0.83 LPAR1 (0.38) LPAR1AGTR1AGTR2
SCHEMBL444274 0.81 AGTR1 (0.42) LPAR1AGTR1AGTR2MEN1KMT2A
SCHEMBL445920 0.81 PTPN1 (0.40) LPAR1AGTR1AGTR2
SCHEMBL443778 0.79 AGTR1 (0.39) LPAR1AGTR1AGTR2
SCHEMBL446830 0.79 LTB4R2 (0.53) LPAR1AGTR1
SCHEMBL446384 0.77 LTB4R2 (0.53) AGTR1

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 LPAR1 2891/4885L3MBTL1 3146/4885F2 1637/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 LPAR1 2891/4885L3MBTL1 3146/4885F2 1637/4885

“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.