SCHEMBL3522137

SCHEMBL3522137

COc1nc(C)cc(C=O)n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 3/20 0.33
CYP1A2 P05177 2/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
APP P05067 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
ERN1 O75460 1/20 0.31
TERT O14746 1/20 0.31
CCR1 P32246 1/20 0.30

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
SCHEMBL29955053 0.87 APP (0.39) TDP1LMNAALDH1A1KMT2AMAPT
SCHEMBL20599942 0.80 LMNA (0.50) TDP1LMNAALDH1A1KMT2ACYP1A2
SCHEMBL18399227 0.78 ALDH1A1 (0.33) TDP1LMNAALDH1A1KMT2AMAPT
SCHEMBL2629265 0.78 POLB (0.43) TDP1LMNAALDH1A1KMT2AMAPT
SCHEMBL20773114 0.76 MAPT (0.40) ALDH1A1KMT2AMAPTTSHRCYP1A2
SCHEMBL3089372 0.74 ALDH1A1 (0.36) LMNAALDH1A1KMT2AMAPTCYP1A2
SCHEMBL29952455 0.74 ALDH1A1 (0.36) LMNAALDH1A1KMT2AMAPTCYP1A2
SCHEMBL29952038 0.72 HTT (0.34) LMNAALDH1A1KDM4EHTT
SCHEMBL21338123 0.71 CCR1 (0.32) LMNACCR1
SCHEMBL13724354 0.71 GRM4 (0.53) MAPTTSHRCYP1A2ATMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
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 TDP1 3778/4885LMNA 571/4885ALDH1A1 4629/4885

“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.