SCHEMBL3801864

SCHEMBL3801864

CCCCCn1n[c]c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.51
MPO P05164 3/20 0.43
CNR2 P34972 5/20 0.43
TLR8 Q9NR97 3/20 0.42
CNR1 P21554 3/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GRM2 Q14416 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 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
SCHEMBL29199466 0.95 SLC9A1 (0.50) SLC9A1MPOCNR2TLR8PDE4A
SCHEMBL29199475 0.88 SLC9A1 (0.47) SLC9A1CNR2CNR1GRM2
SCHEMBL18487132 0.81 ALDH1A1 (0.43) SLC9A1MPOCNR2CNR1
SCHEMBL570746 0.80 SLC9A1 (0.44) SLC9A1GRM2
SCHEMBL570412 0.77 TDO2 (0.39)
SCHEMBL3326163 0.70 GRM2 (0.47) SLC9A1CNR2CNR1GRM2
SCHEMBL1176401 0.69 LMNA (0.36)
SCHEMBL4589328 0.69 CNR1 (0.50) SLC9A1MPOCNR2TLR8CNR1
SCHEMBL3663636 0.68 ALDH1A1 (0.52)
SCHEMBL28905062 0.68 SLC9A1 (0.41) SLC9A1CNR2TLR8CNR1

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 7 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
CN-1809531-B Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG 2010-05-26 CN disclosed
US-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2006-09-21 US disclosed
CN-1809531-A Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2006-07-26 CN 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 SLC9A1 2876/4885MPO 4883/4885CNR2 48/4885

“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.