SCHEMBL12373986

SCHEMBL12373986

CCn1c(C(C)N)cnc1Oc1cccc(N(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
APP P05067 2/20 0.38
GCK P35557 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
F10 P00742 3/20 0.34
F2 P00734 2/20 0.34
FFAR1 O14842 1/20 0.34
TNK2 Q07912 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 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
SCHEMBL2280652 0.84 CYP3A4 (0.43)
SCHEMBL12374006 0.84 LTA4H (0.38)
SCHEMBL12162203 0.81 NPBWR1 (0.39) NPBWR1MCHR1APPGCKHRH4
SCHEMBL12374011 0.80 LNPEP (0.41)
SCHEMBL12374014 0.80 F10 (0.39) F10
SCHEMBL12374034 0.78 SMN1; SMN2 (0.36)
SCHEMBL12374016 0.77 F10 (0.40) NOS2F10F2
SCHEMBL12373988 0.77 AGXT (0.40) F10
SCHEMBL12374017 0.76 DRD2 (0.45) ACHE
SCHEMBL2280041 0.76 MEN1 (0.36) NPBWR1MCHR1

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 NPBWR1 67/4885MCHR1 130/4885APP 1945/4885

“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.