SCHEMBL2276316

SCHEMBL2276316

CCn1ccnc1Oc1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
QPCT Q16769 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
TEAD4 Q15561 1/20 0.36
NPBWR1 P48145 2/20 0.36
MCHR1 Q99705 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL13466264 0.83 ADRA2A (0.42) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL8638450 0.80 LTA4H (0.47) KMT2ACYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL4867589 0.76
SCHEMBL27306734 0.75 ESR1 (0.42) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL5170673 0.74 SMN1; SMN2 (0.42) MEN1KMT2AKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL10981149 0.72 ADRA2A (0.56) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL15804415 0.71 NPC1 (0.46) MEN1KMT2AKDM4ECYP2D6CYP1A2
SCHEMBL12473508 0.69 MAPK1 (0.41) MEN1KMT2ANPSR1ALDH1A1CYP1A2
SCHEMBL997209 0.69 NPSR1 (0.41) MEN1KMT2AKDM4ENPSR1ALDH1A1
SCHEMBL27723590 0.68 MAPT (0.38) KMT2ANPSR1ALDH1A1MAPT

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
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

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 ADRA2A 418/4885ADRA2B 170/4885ADRA2C 315/4885

“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.