SCHEMBL13490356

SCHEMBL13490356

CCOC(=O)N1CC=C(c2ccc(CC)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 5/20 0.49
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
CDK13 Q14004 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
NAMPT P43490 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KIT P10721 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRM5 P41594 3/20 0.41
GRM1 Q13255 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL13490335 0.85 WNT3A (0.46) WNT3ACDK13CDK12NAMPTMAPT
SCHEMBL14348177 0.82 ALDH1A1 (0.51) NAMPTMEN1KMT2AKITKDM4E
SCHEMBL13490526 0.80 GRM5 (0.53) WNT3ANAMPTMEN1KMT2AGRM5
SCHEMBL13490628 0.79 WNT3A (0.47) WNT3A
SCHEMBL1577496 0.79 GRM5 (0.52) WNT3ANAMPTMEN1KMT2AGRM5
SCHEMBL23703330 0.78 WNT3A (0.57) WNT3ANAMPTGRM5GRM1
SCHEMBL29723480 0.78 WNT3A (0.57) WNT3ANAMPTGRM5GRM1
SCHEMBL31189853 0.77 WNT3A (0.56) WNT3ANAMPTKITGRM5GRM1
SCHEMBL25175708 0.77 WNT3A (0.56) WNT3ANAMPTKITGRM5GRM1
SCHEMBL171594 0.76 NPC1 (0.39) WNT3ACDK13CDK12NAMPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530662-B2 Pyridyltetrahydropyridines and pyridylpiperidines, and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2013-09-10 US disclosed
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US 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-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them QDPR, HRH4, HRH2 WNT3A 4254/4885JAK2 2028/4885JAK1 4058/4885

“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.