SCHEMBL3743500

SCHEMBL3743500

C#CCCCc1nc2cc(CC[C@](C)(CO)NC(=O)OC(C)(C)C)ccc2o1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
RAB9A P51151 9/20 0.35
NPC1 O15118 7/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
GRK6 P43250 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3738560 0.88 MEN1 (0.42) GAARAB9ANPC1MEN1KMT2A
SCHEMBL3734273 0.82 GAA (0.38) GAARAB9ANPC1MEN1KMT2A
SCHEMBL3735108 0.82 GAA (0.38) GAARAB9ANPC1TBK1
SCHEMBL3731804 0.80 GRK6 (0.39) GAARAB9ANPC1MEN1KMT2A
SCHEMBL3731806 0.80 GRK6 (0.39) GAARAB9ANPC1MEN1KMT2A
SCHEMBL3734270 0.78 S1PR1 (0.33) GAARAB9ANPC1MAPTTBK1
SCHEMBL3736330 0.78 KDR (0.47) RAB9ANPC1MAPTPOLB
SCHEMBL3734275 0.78 S1PR1 (0.33) GAARAB9ANPC1MAPTTBK1
Ammonia Solution, Strong SCHEMBL3736441 0.77 S1PR1 (0.41) GAARAB9ANPC1MEN1KMT2A
SCHEMBL3736265 0.76 S1PR1 (0.47) RAB9ANPC1POLB

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 GAA 4340/4885RAB9A 1894/4885NPC1 986/4885

“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.