SCHEMBL1838982

SCHEMBL1838982

O=C(OCc1ccccc1)N1CCCC(CCCCO)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP2C19 P33261 1/20 0.50
LCK P06239 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FAAH O00519 1/20 0.47
GRIN2B Q13224 3/20 0.46
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
TYK2 P29597 2/20 0.46
JAK3 P52333 2/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
PDE4B Q07343 1/20 0.44

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
SCHEMBL1842921 0.99 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL1841979 0.96 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL6773162 0.92 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL1843950 0.92 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL7700888 0.92 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL5237427 0.90 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL1842194 0.90 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL5236802 0.89 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL1839555 0.89 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL1841198 0.88 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19LCK

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246030-A1 NOVEL ADENINE DERIVATIVES GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
EP-3246030-A1 NOVEL ADENINE DERIVATIVES GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
EP-2320905-B1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2017-06-28 EP disclosed
EP-2320905-B1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2017-06-28 EP disclosed
US-8802684-B2 Adenine derivatives GLAXOSMITHKLINE LLC (US) 2014-08-12 US disclosed
US-8802684-B2 Adenine derivatives GLAXOSMITHKLINE LLC (US) 2014-08-12 US disclosed
US-8802684-B2 Adenine derivatives GLAXOSMITHKLINE LLC (US) 2014-08-12 US disclosed
US-20140024664-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2014-01-23 US disclosed
US-20140024664-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2014-01-23 US disclosed
US-20140024664-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2014-01-23 US disclosed
US-20120315291-A1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES GLAXOSMITHKLINE LLC (US) 2012-12-13 US disclosed
US-20120315291-A1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES GLAXOSMITHKLINE LLC (US) 2012-12-13 US disclosed
WO-2011098451-A1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES GLAXOSMITHKLINE LLC (US) 2011-08-18 WO disclosed
WO-2011098451-A1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES GLAXOSMITHKLINE LLC (US) 2011-08-18 WO disclosed
US-20110144136-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2011-06-16 US disclosed
US-20110144136-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2011-06-16 US disclosed
US-20110144136-A1 NOVEL ADENINE DERIVATIVES GLAXOSMITHKLINE LLC (US) 2011-06-16 US disclosed
EP-2320905-A1 NOVEL ADENINE DERIVATIVES Smithkline Beecham Corporation (US) 2011-05-18 EP disclosed
WO-2010018134-A1 NOVEL ADENINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
WO-2010018134-A1 NOVEL ADENINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 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 (3 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-20110144136-A1 NOVEL ADENINE DERIVATIVES STING1, IFNG, IFNAR1 SMN1; SMN2 4705/4885NPC1 1904/4885RAB9A 534/4885
US-20140024664-A1 NOVEL ADENINE DERIVATIVES IFNAR1, STING1, IFNG SMN1; SMN2 4751/4885NPC1 1881/4885RAB9A 450/4885
US-20120315291-A1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES STING1, IFNG, IRF3 SMN1; SMN2 2726/4885NPC1 1151/4885RAB9A 1608/4885

“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.