SCHEMBL3522268

SCHEMBL3522268

O=Cc1ccc2c(c1)OCCCC2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KCNH2 Q12809 7/20 0.42
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRM3 P20309 1/20 0.40
CHRNA4 P43681 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
SCHEMBL3327121 0.95 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1KCNH2CLK1
SCHEMBL2416319 0.87 ALDH1A1 (0.53) ALDH1A1HSD17B10TDP1CLK1DYRK1A
SCHEMBL3517912 0.86 DYRK1A (0.56) ALDH1A1HSD17B10TDP1CLK1DYRK1A
SCHEMBL3516862 0.82 ALDH1A1 (0.71) ALDH1A1HSD17B10TDP1DYRK1ADYRK1B
SCHEMBL3328614 0.81 DYRK1A (0.61) ALDH1A1HSD17B10TDP1CLK1DYRK1A
SCHEMBL29957044 0.81 DYRK1A (0.61) ALDH1A1HSD17B10TDP1CLK1DYRK1A
SCHEMBL15853573 0.80 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1DYRK1ADYRK1B
SCHEMBL16472567 0.80 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1DYRK1ADYRK1B
SCHEMBL18586167 0.79 KCNH2 (0.43) KCNH2CLK1DYRK1ADYRK1B
SCHEMBL18586169 0.79 KCNH2 (0.43) KCNH2CLK1DYRK1ADYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959959-B1 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-04-10 EP disclosed
US-7855201-B2 Morpholine carboxamide prokineticin receptor antagonists Merck Sharp & Dohme. Corp. (US) 2010-12-21 US disclosed
US-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-10 US disclosed
EP-1959959-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-08-27 EP disclosed
WO-2007067511-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-06-14 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 (1 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-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists PROKR2, PROKR1, NTSR2 ALDH1A1 4629/4885HSD17B10 4088/4885TDP1 3778/4885

“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.