SCHEMBL3731767

SCHEMBL3731767

CCOC(=N)c1cccc(OCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ HPGD P15428 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ PRSS1 P07477 6/20 0.49
▸ NR1H4 Q96RI1 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ DGAT1 O75907 1/20 0.47

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
Hydrochloric Acid SCHEMBL3138169 0.98 PRSS1 (0.50) TP53CYP3A4LMNAALDH1A1MAPT
SCHEMBL5504569 0.86 PRSS1 (0.61) TP53LMNAALDH1A1MAPTMAPK1
SCHEMBL13108721 0.85 DGAT1 (0.52) ALDH1A1MAPTKMT2AMEN1DGAT1
SCHEMBL11170863 0.84 ADRB2 (0.48) ALDH1A1MAPTSMN1; SMN2KDM4EPRSS1
Hydrochloric Acid SCHEMBL2458653 0.84 PRSS1 (0.59) TP53LMNAALDH1A1MAPTMAPK1
SCHEMBL3736270 0.83 AKR1C3 (0.54) LMNAALDH1A1MAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL3736269 0.81 AKR1C3 (0.53) LMNAALDH1A1MAPTHPGDKMT2A
SCHEMBL1989713 0.81 KMT2A (0.62) LMNAALDH1A1MAPTMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL1435925 0.81 PRSS1 (0.73) PRSS1
SCHEMBL8810201 0.80 F10 (0.49) DGAT1POLB

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
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
US-4379155-A 3,5-Disubstituted-1H-1,2,4-triazole derivatives GRUPPO LEPETIT S.P.A. (IT) 1983-04-05 — — US disclosed
US-4370336-A OXYTOCICS GRUPPO LEPETIT S.P.A. (IT) 1983-01-25 — — US 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 TP53 4466/4885CYP3A4 1825/4885LMNA 3207/4885

“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.

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