SCHEMBL12374082

SCHEMBL12374082

CCCCCCCCCCCCCCCCCCOc1ncc(C(C)N)n1CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
TP53 P04637 2/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC2A1 P11166 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
HTR2A P28223 1/20 0.32
TSHR P16473 2/20 0.32
PLA2G2A P14555 1/20 0.32
NR5A1 Q13285 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 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
SCHEMBL2280041 0.71 MEN1 (0.36) NPC1GAAMAPTRAB9A
SCHEMBL8503473 0.62 SLC2A1 (0.64) TP53LMNANPC1GAAMAPT
SCHEMBL8501698 0.62 SLC2A1 (0.64) TP53LMNANPC1GAAMAPT
SCHEMBL8505207 0.62 SLC2A1 (0.64) TP53LMNANPC1GAAMAPT
SCHEMBL8501526 0.62 SLC2A1 (0.64) TP53LMNANPC1GAAMAPT
Hydrochloric Acid SCHEMBL11741891 0.60 SLC2A1 (0.67) TP53LMNANPC1GAAMAPT
Isopropylamine SCHEMBL9717358 0.59 HTT (0.56) MAPTTSHR
SCHEMBL10692048 0.58 NR5A1 (0.52) TP53TSHRPLA2G2ANR5A1
SCHEMBL10858978 0.58 NR5A1 (0.52) TP53TSHRPLA2G2ANR5A1
SCHEMBL10690008 0.58 NR5A1 (0.52) TP53TSHRPLA2G2ANR5A1

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 HTR1B 398/4885LNPEP 3741/4885TP53 4743/4885

“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.