SCHEMBL2551263

SCHEMBL2551263

COCCC1CN(c2nc(C(=O)OC)cs2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
CRBN Q96SW2 1/20 0.42
IDH1 O75874 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRK1 P41145 1/20 0.35
KMT2A Q03164 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
SCHEMBL2554022 0.91 ALDH1A1 (0.39) IDH1L3MBTL1OPRK1KMT2A
SCHEMBL2547518 0.82 HRH3 (0.47) HRH3CRBNHCRTR1HCRTR2L3MBTL1
SCHEMBL18674631 0.77 OGA (0.42) HRH3L3MBTL1
SCHEMBL15348570 0.76 HRH3 (0.53) HRH3CRBNL3MBTL1
SCHEMBL18678329 0.76 OGA (0.41) HRH3L3MBTL1
SCHEMBL18678328 0.74 OGA (0.41) HRH3L3MBTL1
SCHEMBL13161917 0.73 HRH3 (0.55) HRH3CRBNHCRTR1HCRTR2L3MBTL1
SCHEMBL13161921 0.72 HRH3 (0.60) HRH3CRBNHCRTR1HCRTR2KMT2A
SCHEMBL2554680 0.72 HRH3 (0.58) HRH3CRBNHCRTR1HCRTR2L3MBTL1
SCHEMBL2551286 0.72 ALDH1A1 (0.42) L3MBTL1OPRK1KMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200125564-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2020-04-23 US disclosed
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2020-01-28 US disclosed
US-10065960-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2018-09-04 US disclosed
US-20180194772-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2018-07-12 US disclosed
US-9926325-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2018-03-27 US disclosed
EP-3176171-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2017-06-07 EP disclosed
EP-2552920-B1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2017-03-15 EP disclosed
US-20150315199-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2015-11-05 US disclosed
US-20140371218-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2014-12-18 US disclosed
US-8871761-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders EUROSCREEN S.A. (BE) 2014-10-28 US disclosed
EP-2552920-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS Euroscreen S.A. (BE) 2013-02-06 EP disclosed
US-20130023530-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS EUROSCREEN S.A. (BE) 2013-01-24 US disclosed
WO-2011121137-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS EUROSCREEN S.A. (BE) 2011-10-06 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 (6 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-20140371218-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 HRH3 75/4885CRBN 3167/4885IDH1 4635/4885
US-10065960-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 HRH3 58/4885CRBN 3064/4885IDH1 4589/4885
US-20180194772-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 HRH3 75/4885CRBN 3167/4885IDH1 4635/4885
US-20150315199-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 HRH3 75/4885CRBN 3167/4885IDH1 4635/4885
US-20130023530-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 HRH3 75/4885CRBN 3167/4885IDH1 4635/4885
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 HRH3 58/4885CRBN 3064/4885IDH1 4589/4885

“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.