SCHEMBL2482290

SCHEMBL2482290

[2H]C([2H])(Br)C([2H])([2H])Oc1cc(COC(C)=O)ncc1OCc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.39
FFAR1 O14842 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LRRK2 Q5S007 1/20 0.38
MAOB P27338 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
BRD4 O60885 1/20 0.36
NTRK1 P04629 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
PLK1 P53350 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
PREP P48147 1/20 0.35

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
SCHEMBL2767456 0.86 ALDH1A1 (0.48) FFAR1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL13349164 0.79 MTNR1A (0.42) FFAR1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL103718 0.78 KEAP1 (0.39) CSF1RFFAR1MTNR1AMTNR1BNPC1
SCHEMBL5746155 0.77 MTNR1A (0.39) FFAR1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL3271862 0.76 MTNR1A (0.39) FFAR1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL9366721 0.74 NPC1 (0.47) CSF1RNPC1RAB9APOLBSMN1; SMN2
SCHEMBL21037538 0.73 NPC1 (0.48) CSF1RNPC1RAB9APOLBSMN1; SMN2
SCHEMBL21847982 0.73 FFAR1 (0.57) FFAR1MTNR1A
SCHEMBL15318884 0.72 MAOB (0.54) CSF1RNPC1RAB9AMAOBNTRK1
SCHEMBL9686722 0.71 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HTT

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-2376497-B1 5-AMINO-2-(1-HYDROXY-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-09-18 EP disclosed
US-8211890-B2 5-amino-2-(1-hydroxy-ethyl)-tetrahydropyran derivatives Actelion Pharmaceuticals (CH) 2012-07-03 US disclosed
EP-2376497-A1 5-AMINO-2-(1-HYDROXY-ETHYL)-TETRAHYDROPYRAN DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-10-19 EP disclosed
US-20110245259-A1 5-Amino-2-(1-Hydroxy-Ethyl)-Tetrahydropyran Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-06 US disclosed
WO-2010067332-A1 5-AMINO-2-(1-HYDROXY-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-17 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-20110245259-A1 5-Amino-2-(1-Hydroxy-Ethyl)-Tetrahydropyran Derivatives CD2, CD22, DRD3 CSF1R 939/4885FFAR1 1296/4885MTNR1A 1641/4885

“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.