SCHEMBL1648477

SCHEMBL1648477

COC(=O)c1cc(CCCN2CCOCC2)ccc1OCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 3/20 0.46
FFAR4 Q5NUL3 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
MAPK14 Q16539 2/20 0.44
ABCB1 P08183 1/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MET P08581 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL1648246 0.81 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AFFAR4LMNATSHR
SCHEMBL1648248 0.81 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AFFAR4LMNATSHR
SCHEMBL10322212 0.80 LRRK2 (0.53) SMN1; SMN2FFAR4
SCHEMBL10322929 0.80 LRRK2 (0.63) EPHX2MET
SCHEMBL1646758 0.80 HSD17B10 (0.57) SMN1; SMN2KMT2AEPHX2CYP2C9LMNA
SCHEMBL21830251 0.76 LMNA (0.53) HTTKMT2AABCB1POLBCYP2D6
SCHEMBL2255584 0.74 SMN1; SMN2 (0.59) SMN1; SMN2HTTKMT2APOLBCYP2D6
SCHEMBL166755 0.73 HCRTR1 (0.47) SMN1; SMN2FFAR4MET
SCHEMBL13163135 0.73 SIGMAR1 (0.50) SMN1; SMN2KMT2APOLBLMNAALDH1A1
SCHEMBL6044788 0.73 KEAP1 (0.64) SMN1; SMN2KMT2AABCB1POLBCYP2D6

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-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 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-20120184553-A1 NOVEL COMPOUNDS LRRK2, PARK7, PINK1 SMN1; SMN2 769/4885HTT 110/4885KMT2A 2336/4885

“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.