SCHEMBL3739999

SCHEMBL3739999

CCCCCc1nc2cc(CC[C@@](C)(N)CO)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TNNC1 P63316 5/20 0.43
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 2/20 0.43
SGPL1 O95470 1/20 0.43
S1PR4 O95977 1/20 0.43
GPR183 P32249 1/20 0.43
CERS2 Q96G23 1/20 0.43
S1PR5 Q9H228 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 1/20 0.42
GRK6 P43250 1/20 0.41
SPHK2 Q9NRA0 3/20 0.40
SPHK1 Q9NYA1 1/20 0.39

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
SCHEMBL3740004 1.00 MEN1 (0.49) MEN1KMT2ATNNC1S1PR1S1PR3
SCHEMBL13041617 0.88 MEN1 (0.51) MEN1KMT2ATNNC1S1PR1S1PR3
SCHEMBL3731804 0.86 GRK6 (0.39) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL3731806 0.86 GRK6 (0.39) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL3734878 0.84 S1PR1 (0.57) MEN1KMT2AS1PR1S1PR3S1PR4
SCHEMBL3744500 0.83 KMT2A (0.58) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL3737015 0.82 MEN1 (0.45) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL3737011 0.82 MEN1 (0.45) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL11946839 0.82 GAA (0.39) MEN1KMT2AS1PR1NPC1RAB9A
SCHEMBL3738057 0.82 GAA (0.39) MEN1KMT2AS1PR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622866-B1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-07-25 EP disclosed
US-7825260-B2 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2006-09-21 US disclosed
EP-1622866-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096757-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2004-11-11 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-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators S1PR1, S1PR3, S1PR2 MEN1 3336/4885KMT2A 3596/4885TNNC1 4869/4885

“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.