SCHEMBL566650

SCHEMBL566650

NC(CO)(CO)CN1CCc2cc(OCc3ccccc3)ccc2C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.58
HRH3 Q9Y5N1 8/20 0.56
CYP2D6 P10635 3/20 0.56
HRH1 P35367 1/20 0.56
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
PRMT5 O14744 3/20 0.50
WDR77 Q9BQA1 3/20 0.50
REV1 Q9UBZ9 1/20 0.49
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
CD274 Q9NZQ7 1/20 0.47
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45

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
SCHEMBL565890 0.89 CARM1 (0.46) CARM1HRH3CYP2D6HRH1ITGB3
SCHEMBL566699 0.86 PRMT5 (0.48) CARM1HRH3CYP2D6HRH1ITGB3
SCHEMBL2832935 0.82 PRMT5 (0.45) CARM1HRH3CYP2D6HRH1ITGB3
SCHEMBL3045956 0.81 REV1 (0.70) CARM1HRH3CYP2D6HRH1L3MBTL1
SCHEMBL4917832 0.74 HRH3 (0.77) CARM1HRH3CYP2D6HRH1L3MBTL1
SCHEMBL8188071 0.74 HRH3 (0.92) CARM1HRH3CYP2D6HRH1L3MBTL1
SCHEMBL3050358 0.73 L3MBTL1 (0.69) CARM1HRH3CYP2D6HRH1L3MBTL1
SCHEMBL23259283 0.73 HRH3 (0.65) CARM1HRH3HRH1L3MBTL1REV1
SCHEMBL29474881 0.73 HRH3 (0.70) CARM1HRH3CYP2D6HRH1L3MBTL1
SCHEMBL5450398 0.73 HRH3 (1.00) CARM1HRH3CYP2D6HRH1

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 9 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-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
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
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 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
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 CARM1 3339/4885HRH3 461/4885CYP2D6 4473/4885

“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.