SCHEMBL3733983

SCHEMBL3733983

CCOC(=N)c1ccc(C)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.57
HPGD P15428 4/20 0.42
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40
SLC6A4 P31645 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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 SCHEMBL3733980 0.98 DGAT1 (0.56) DGAT1HPGDALDH1A1NPC1CYP1A2
SCHEMBL6578363 0.87 DGAT1 (0.59) DGAT1HPGDALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL6578358 0.85 DGAT1 (0.57) DGAT1HPGDALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL27647807 0.82 ALDH1A1 (0.42) DGAT1HPGDALDH1A1NPC1CYP1A2
SCHEMBL5504069 0.82 DGAT1 (0.54) DGAT1NPC1RAB9ASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL2456062 0.81 DGAT1 (0.53) DGAT1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL6301547 0.80 CA12 (0.59) HPGDALDH1A1CYP1A2RAB9ASMN1; SMN2
SCHEMBL23479622 0.80 DGAT1 (0.51) DGAT1ALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL13108706 0.80 DGAT1 (0.62) DGAT1HPGDALDH1A1CYP1A2SMN1; SMN2
SCHEMBL22950515 0.79 DGAT1 (0.54) DGAT1ALDH1A1CYP1A2RAB9ASMN1; SMN2

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 DGAT1 2355/4885HPGD 3460/4885ALDH1A1 2021/4885

“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.