SCHEMBL2280041

SCHEMBL2280041

CCn1c(C(C)N)cnc1Oc1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
NPBWR1 P48145 3/20 0.34
MCHR1 Q99705 3/20 0.34
TEAD4 Q15561 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RX3 P56373 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
BTK Q06187 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL12374001 0.90 SLC6A4 (0.38) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL12374006 0.89 LTA4H (0.38) ALDH1A1BTK
SCHEMBL12373975 0.88 HTT (0.42) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2281618 0.88 LTA4H (0.39) MEN1KMT2AMAPTNPBWR1MCHR1
SCHEMBL12373991 0.86 ADORA1 (0.35) KMT2AMAPTP2RX3
SCHEMBL2277242 0.86 POLB (0.40) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL12374034 0.85 SMN1; SMN2 (0.36) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL12374054 0.82 LTA4H (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL12374028 0.82 TDP1 (0.31) ALDH1A1TDP1
SCHEMBL12374011 0.82 LNPEP (0.41) MEN1KMT2ANPC1RAB9AGAA

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 12 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
CN-101415687-B Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO.,LTD. (JP) 2012-02-08 CN 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
CN-101415687-A Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-22 CN 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 MEN1 1204/4885KMT2A 3906/4885NPC1 335/4885

“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.