SCHEMBL3737015

SCHEMBL3737015

CCCCCc1nc2cc(CCC(C)(N)C(=O)OC)ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 10/20 0.44
NPC1 O15118 7/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL3737011 1.00 MEN1 (0.45) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL3740004 0.82 MEN1 (0.49) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL3739999 0.82 MEN1 (0.49) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL3734878 0.80 S1PR1 (0.57) MEN1KMT2A
SCHEMBL13041617 0.79 MEN1 (0.51) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL3738560 0.79 MEN1 (0.42) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL3744500 0.76 KMT2A (0.58) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL29437076 0.76 TSHR (0.52) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL26554177 0.76 TSHR (0.49) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL26554184 0.76 TSHR (0.52) MEN1KMT2ARAB9ANPC1GAA

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 3596/4885RAB9A 1894/4885

“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.