SCHEMBL2279090

SCHEMBL2279090

CCn1c(C(C)N)cnc1Oc1ccc2cc[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOA P21397 1/20 0.38
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNA10 Q9GZZ6 2/20 0.36
CHRNA9 Q9UGM1 2/20 0.36
ADORA1 P30542 1/20 0.34
TNK2 Q07912 1/20 0.34
PTPN11 Q06124 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
LTA4H P09960 1/20 0.33
BACE1 P56817 1/20 0.33
KDR P35968 3/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL12374011 0.82 LNPEP (0.41) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL2388136 0.82 MEN1 (0.46) MEN1POLBMAPK1KMT2AMAOA
SCHEMBL12374034 0.79 SMN1; SMN2 (0.36) MEN1KMT2AHTR2A
SCHEMBL12374023 0.79 MELK (0.38) KDRPIK3CDABL1EGFRHCK
SCHEMBL12374001 0.78 SLC6A4 (0.38) MEN1KMT2AMAOAHTR2AHTR2C
SCHEMBL12373991 0.77 ADORA1 (0.35) KMT2ACHRNB4CHRNA3ADORA1
SCHEMBL2280041 0.77 MEN1 (0.36) MEN1POLBKMT2A
SCHEMBL12310377 0.77 MEN1 (0.48) MEN1POLBMAPK1KMT2AMAOA
SCHEMBL12374006 0.77 LTA4H (0.38) MAOALTA4H
SCHEMBL2279119 0.76 S1PR1 (0.43) KMT2AESR1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988081-B1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO LTD (JP) 2012-10-17 EP disclosed
EP-1988081-B1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO LTD (JP) 2012-10-17 EP disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 EP disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 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 (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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 MEN1 1204/4885POLB 4129/4885MAPK1 232/4885

“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.