SCHEMBL12373689

SCHEMBL12373689

CCn1c(C(C)NS(=O)(=O)CCCOc2ccc(OC)cc2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
DRD2 P14416 4/20 0.36
DRD4 P21917 4/20 0.36
DRD3 P35462 4/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL12373708 0.88 KDM4E (0.39) CNR1ALDH1A1HPGDGAAKDM4E
SCHEMBL12373491 0.87 PTGS1 (0.36) CNR1ALDH1A1MEN1KMT2A
SCHEMBL4119410 0.84 CNR1 (0.47) CNR1ALDH1A1
SCHEMBL12373468 0.83 S1PR1 (0.42) CNR1ITGB3
SCHEMBL12373518 0.83 ALDH1A1 (0.45) CNR1DRD2DRD4DRD3ALDH1A1
SCHEMBL12373498 0.82 P2RX3 (0.35) ALDH1A1
SCHEMBL12373699 0.82 P2RX3 (0.39) CNR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12373629 0.81 MEN1 (0.37) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL12373517 0.81 S1PR1 (0.44) CNR1ALDH1A1KMT2A
SCHEMBL12373552 0.80 PGR (0.44) CNR1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CNR1 17/4885DRD2 924/4885DRD4 1342/4885

“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.