SCHEMBL13490506

SCHEMBL13490506

O=C(OCc1ccccc1)N1CCCC(c2ccccn2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.55
JAK1 P23458 3/20 0.55
TYK2 P29597 2/20 0.55
JAK3 P52333 2/20 0.55
GRIN2B Q13224 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PRMT5 O14744 3/20 0.51
WDR77 Q9BQA1 3/20 0.51
USP30 Q70CQ3 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
GRM5 P41594 1/20 0.47
LCK P06239 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP3A4 P08684 2/20 0.47

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
SCHEMBL19404912 0.94 GRIN2B (0.58) JAK2JAK1TYK2JAK3GRIN2B
SCHEMBL22059523 0.89 GRIN2B (0.54) JAK2JAK1TYK2JAK3GRIN2B
SCHEMBL171077 0.87 GRIN2B (0.64) JAK2JAK1TYK2JAK3GRIN2B
SCHEMBL13490610 0.84 BCL9 (0.52) JAK2JAK1TYK2JAK3GRIN2B
SCHEMBL171665 0.83 JAK2 (0.52) JAK2JAK1TYK2JAK3GRIN2B
SCHEMBL13490730 0.83 JAK2 (0.50) JAK2JAK1TYK2JAK3GRIN2B
SCHEMBL29087342 0.83 SMN1; SMN2 (0.59) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL169477 0.81 JAK2 (0.49) JAK2JAK1TYK2JAK3GRIN2B
SCHEMBL6347014 0.81 HSD11B1 (0.53) PRMT5WDR77USP30GRM5
SCHEMBL29806315 0.81 FAAH (0.54) JAK2JAK1TYK2JAK3GRIN2B

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 8 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-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
US-20100029947-A1 Pyridyltetrahydropyridines and Pyridylpiperidines, and Method of Manufacturing Them FUJIFILM FINECHEMICALS CO., LTD 2010-02-04 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-7632950-B2 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2009-12-15 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 US disclosed
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-04-26 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 (2 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 JAK2 2028/4885JAK1 4058/4885TYK2 991/4885
US-20070093528-A1 Pyridyltetrahydropyridines and pyridylpiperidines and method of manufacturing them QDPR, HRH4, HRH2 JAK2 2058/4885JAK1 4106/4885TYK2 1230/4885

“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.