SCHEMBL2553489

SCHEMBL2553489

CC(C)(C)OC(=O)c1csc(-c2ccccn2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.61
PDE10A Q9Y233 1/20 0.51
TLR7 Q9NYK1 6/20 0.44
LMNA P02545 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
GFER P55789 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
NTMT1 Q9BV86 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP19A1 P11511 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CPT1A P50416 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
SCHEMBL2549198 0.85 MAOA (0.59) PDE10ATLR7LMNAMAOAACHE
SCHEMBL31341038 0.82 LMNA (0.62) PDE10ATLR7LMNAMAOAALDH1A1
SCHEMBL2436892 0.82 LMNA (0.62) PDE10ATLR7LMNAMAOAALDH1A1
SCHEMBL2550713 0.79 PDE10A (0.57) HPGDSPDE10ATLR7LMNAACHE
SCHEMBL2652708 0.78 ALDH1A1 (0.55) HPGDSLMNAALDH1A1KDM4ERAB9A
SCHEMBL29550139 0.78 ALDH1A1 (0.55) HPGDSLMNAALDH1A1KDM4ERAB9A
SCHEMBL2100275 0.77 HTR2B (0.59) PDE10ATLR7ACHEALDH1A1KDM4E
SCHEMBL20646870 0.77 PDE10A (0.55) PDE10ATLR7LMNAALDH1A1KDM4E
SCHEMBL21881835 0.77 PDE10A (0.55) PDE10ATLR7ALDH1A1KDM4ERAB9A
Fluoride SCHEMBL28087422 0.77 ALDH1A1 (0.53) HPGDSLMNAALDH1A1KDM4ERAB9A

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 27 patents — showing the first 20. 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-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-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-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
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
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-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
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
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
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
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 (5 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 HPGDS 758/4885PDE10A 1968/4885TLR7 693/4885
US-10065960-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 HPGDS 762/4885PDE10A 2229/4885TLR7 576/4885
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 HPGDS 758/4885PDE10A 1968/4885TLR7 693/4885
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 HPGDS 758/4885PDE10A 1968/4885TLR7 693/4885
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 HPGDS 762/4885PDE10A 2229/4885TLR7 576/4885

“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.