SCHEMBL764510

SCHEMBL764510

CCc1cccc(Cc2ccccn2)n1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
LMNA P02545 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
HRH1 P35367 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
APP P05067 4/20 0.42
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LIN28A Q9H9Z2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL580640 0.90 L3MBTL1 (0.52) HRH3LMNATAAR1ALDH1A1ALOX15
SCHEMBL29430412 0.81
SCHEMBL54892 0.81
SCHEMBL41191 0.81 L3MBTL1 (0.59) HRH3LMNATAAR1ALDH1A1ALOX15
SCHEMBL29830938 0.81 L3MBTL1 (0.59) HRH3LMNATAAR1ALDH1A1ALOX15
SCHEMBL764538 0.81 GRM5 (0.49) HRH3LMNATAAR1ALDH1A1ALOX15
SCHEMBL15483868 0.80 MAPT (0.59) HRH3ALDH1A1HRH1APPTDP1
SCHEMBL13831057 0.80 L3MBTL1 (0.45) HRH3LMNATAAR1ALDH1A1ALOX15
Dimethylamine SCHEMBL6366108 0.79 HRH3 (0.59) HRH3LMNATAAR1ALDH1A1ALOX15
Iodide SCHEMBL23406241 0.79

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133335-B9 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR OTSUKA CHEMICAL CO LTD (JP) 2012-03-21 EP disclosed
US-8093395-B2 Sphingosine compound, method for producing the same, and sphingomyelinase inhibitor OTSUKA CHEMICAL CO., LTD. (JP) 2012-01-10 US disclosed
US-8093395-B2 Sphingosine compound, method for producing the same, and sphingomyelinase inhibitor OTSUKA CHEMICAL CO., LTD. (JP) 2012-01-10 US disclosed
EP-2133335-B1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR OTSUKA CHEMICAL CO LTD (JP) 2011-09-28 EP disclosed
US-20100099881-A1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR OTSUKA CHEMICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099881-A1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR OTSUKA CHEMICAL CO., LTD. (JP) 2010-04-22 US disclosed
EP-2133335-A1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR Otsuka Chemical Co., Ltd. (JP) 2009-12-16 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-20100099881-A1 SPHINGOSINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND SPHINGOMYELINASE INHIBITOR SGPL1, SMPD1, SPHK1 HRH3 549/4885LMNA 1776/4885TAAR1 1580/4885

“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.