SCHEMBL1440900

SCHEMBL1440900

O=C(O)[C@@H]1CC2(CCOCC2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PREP P48147 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADAM10 O14672 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
HTR2C P28335 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
SCHEMBL203727 0.92 ADAM10 (0.48) MEN1KMT2ANPSR1PREPNPC1
SCHEMBL6120151 0.92 ADAM10 (0.48) MEN1KMT2ANPSR1PREPNPC1
SCHEMBL12559832 0.88 NPSR1 (0.46) MEN1KMT2ANPSR1PREPADAM10
SCHEMBL28885286 0.86 HTR2C (0.45) NPC1RAB9ASMN1; SMN2ADAM10MMP2
SCHEMBL12559824 0.83 USP2 (0.44) MEN1KMT2ANPSR1PREPADAM10
SCHEMBL6126692 0.81 MEN1 (0.46) MEN1KMT2ANPSR1PREPNPC1
SCHEMBL6126693 0.81 MEN1 (0.46) MEN1KMT2ANPSR1PREPNPC1
SCHEMBL17377956 0.80 NPC1 (0.49) MEN1KMT2ANPSR1PREPNPC1
SCHEMBL12559646 0.80 NPC1 (0.49) MEN1KMT2ANPSR1PREPNPC1
SCHEMBL12820260 0.80 USP2 (0.42) MEN1KMT2ANPSR1PREPADAM10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814699-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2017-11-14 US disclosed
US-9814699-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2017-11-14 US disclosed
US-9814699-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2017-11-14 US disclosed
US-20160158201-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-06-09 US disclosed
US-20160158201-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-06-09 US disclosed
US-20160158201-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2016-06-09 US disclosed
EP-3006441-A1 NS5A INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2016-04-13 EP disclosed
EP-3006441-A1 NS5A INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2016-04-13 EP disclosed
US-20150374668-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2015-12-31 US disclosed
US-20150374668-A1 CHEMICAL COMPOUNDS JANSSEN PHARMACEUTICALS INC (US) 2015-12-31 US disclosed
US-20130072690-A1 Chemical Compounds GLAXOSMITHKLINE LLC (US) 2013-03-21 US disclosed
US-8344155-B2 Chemical compounds GLAXOSMITH KLINE LLC (US) 2013-01-01 US disclosed
US-8344155-B2 Chemical compounds GLAXOSMITH KLINE LLC (US) 2013-01-01 US disclosed
US-8344155-B2 Chemical compounds GLAXOSMITH KLINE LLC (US) 2013-01-01 US disclosed
EP-2473056-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2012-07-11 EP disclosed
US-20110152237-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2011-06-23 US disclosed
US-20110152237-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2011-06-23 US disclosed
US-20110152237-A1 Chemical Compounds GLAXOSMITHKLINE LLC 2011-06-23 US disclosed
WO-2011028596-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-03-10 WO disclosed
WO-2011028596-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-03-10 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 (4 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-20150374668-A1 CHEMICAL COMPOUNDS SLC10A1, UGT1A3, UGT2B7 MEN1 3809/4885KMT2A 4566/4885NPSR1 1671/4885
US-20160158201-A1 CHEMICAL COMPOUNDS SLC10A1, UGT1A3, UGT2B7 MEN1 3809/4885KMT2A 4566/4885NPSR1 1671/4885
US-20130072690-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 MEN1 3809/4885KMT2A 4566/4885NPSR1 1671/4885
US-20110152237-A1 Chemical Compounds SLC10A1, UGT1A3, UGT2B7 MEN1 3809/4885KMT2A 4566/4885NPSR1 1671/4885

“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.