SCHEMBL2550688

SCHEMBL2550688

COC(=O)c1csc(N2CC(C)OC(C)C2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.50
HRH3 Q9Y5N1 2/20 0.48
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
AURKA O14965 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
BLM P54132 1/20 0.36
ESR2 Q92731 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 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
SCHEMBL7421362 0.86 ALDH1A1 (0.49) KDM4EALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL7421366 0.86 ALDH1A1 (0.49) KDM4EALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL15357058 0.85 HRH3 (0.50) CRBNHRH3ALDH1A1HCRTR1HCRTR2
SCHEMBL2547518 0.85 HRH3 (0.47) CRBNHRH3HCRTR1HCRTR2L3MBTL1
SCHEMBL30295714 0.85 PTGER1 (0.44) KDM4EALDH1A1RAB9AL3MBTL1LMNA
SCHEMBL2551424 0.83 ALDH1A1 (0.46) KDM4EALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL20031574 0.81 HRH3 (0.55) CRBNHRH3ALDH1A1RAB9AHCRTR1
SCHEMBL13163985 0.79 HRH3 (0.49) CRBNHRH3ALDH1A1RAB9AHCRTR1
SCHEMBL2554680 0.79 HRH3 (0.58) CRBNHRH3ALDH1A1HCRTR1HCRTR2
SCHEMBL15348570 0.78 HRH3 (0.53) CRBNHRH3ALDH1A1L3MBTL1LMNA

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 CRBN 3167/4885HRH3 75/4885KDM4E 3546/4885
US-10065960-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 CRBN 3064/4885HRH3 58/4885KDM4E 3829/4885
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 CRBN 3167/4885HRH3 75/4885KDM4E 3546/4885
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 CRBN 3167/4885HRH3 75/4885KDM4E 3546/4885
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 CRBN 3167/4885HRH3 75/4885KDM4E 3546/4885
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 CRBN 3064/4885HRH3 58/4885KDM4E 3829/4885

“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.