SCHEMBL12374034

SCHEMBL12374034

CCn1c(C(C)N)cnc1Oc1ccc(C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
HAO1 Q9UJM8 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
GFER P55789 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNH2 Q12809 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 0.85 MEN1 (0.36) TDP1KMT2AHTTMEN1MAPT
SCHEMBL12374001 0.84 SLC6A4 (0.38) TDP1KMT2AMEN1MAPTHTR2A
SCHEMBL12374011 0.84 LNPEP (0.41) SMN1; SMN2HAO1KMT2ALMNAHTT
SCHEMBL12373991 0.83 ADORA1 (0.35) KMT2AMAPT
SCHEMBL12374006 0.82 LTA4H (0.38) LMNAALDH1A1
SCHEMBL2281618 0.82 LTA4H (0.39) KMT2AMEN1MAPTALDH1A1
SCHEMBL12373975 0.82 HTT (0.42) SMN1; SMN2KMT2AL3MBTL1HTTMEN1
SCHEMBL12374028 0.82 TDP1 (0.31) TDP1ALDH1A1
SCHEMBL2280652 0.81 CYP3A4 (0.43) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL12374023 0.80 MELK (0.38) MAPTRAB9A

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 SMN1; SMN2 3091/4885HAO1 1811/4885TDP1 1692/4885

“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.