SCHEMBL574897

SCHEMBL574897

CCCCCCCCc1cccc2c1CCN2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
KCNH2 Q12809 2/20 0.41
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL27403058 0.91 LIPG (0.41) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL18791124 0.87 HTR2B (0.42) KCNH2HTR2AHTR2CHTR2BNOTUM
SCHEMBL5542110 0.84 NOTUM (0.34) NOTUM
SCHEMBL5541154 0.83 NOTUM (0.35) NOTUM
SCHEMBL5536374 0.81 NOTUM (0.36) NOTUM
SCHEMBL1881886 0.81 CDK2 (0.38) NOTUM
SCHEMBL5542232 0.80 NOTUM (0.44) NOTUM
SCHEMBL28192335 0.79 DRD2 (0.59) KCNH2HTR2AHTR2B
SCHEMBL22048917 0.78 HTR2B (0.40) KCNH2HTR2AHTR2CHTR2B
SCHEMBL24654698 0.77 NOTUM (0.38) NOTUM

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-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 LIPG 602/4885KCNH2 3083/4885BID 58/4885

“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.