SCHEMBL2279406

SCHEMBL2279406

CCn1c(C(C)O)cnc1Oc1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.43
DRD2 P14416 1/20 0.41
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
AGXT P21549 1/20 0.39
KCNH2 Q12809 1/20 0.39
VNN1 O95497 1/20 0.39
NUAK1 O60285 1/20 0.39
EGFR P00533 1/20 0.39
NUAK2 Q9H093 1/20 0.39
ADRA2C P18825 1/20 0.39
CACNA2D1 P54289 1/20 0.38
AURKA O14965 1/20 0.38
CDK4 P11802 1/20 0.38
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
CACNA1G O43497 1/20 0.37

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
SCHEMBL2276431 0.89 ADRA2C (0.41) HTR2CDRD2MAPTNPC1ALDH1A1
SCHEMBL27830463 0.89 HTR2C (0.45) HTR2CDRD2MAPTNPC1VNN1
SCHEMBL13466298 0.85 EGFR (0.39) HTR2CDRD2MAPTNPC1ALDH1A1
SCHEMBL2280749 0.81 VNN1 (0.43) HTR2CDRD2MAPTNPC1ALDH1A1
SCHEMBL12374014 0.81 F10 (0.39) DRD2MAPTNPC1ALDH1A1RAB9A
SCHEMBL27848858 0.80 HTR2C (0.48) HTR2C
SCHEMBL12373988 0.78 AGXT (0.40) DRD2MAPTNPC1ALDH1A1RAB9A
SCHEMBL12310384 0.78 DRD2 (0.44) HTR2CDRD2MAPTNPC1ALDH1A1
SCHEMBL12373931 0.78 HTR2C (0.40) HTR2CMAPTCACNA2D1MEN1GFER
SCHEMBL2277665 0.77 S1PR1 (0.42) HTR2CNUAK1EGFRNUAK2

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 HTR2C 1266/4885DRD2 924/4885MAPT 3475/4885

“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.