SCHEMBL2593710

SCHEMBL2593710

C[C@@H]1CN(Cc2ccccc2)CCN1c1nccc(C(=O)OC(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
GSK3B P49841 1/20 0.43
ACHE P22303 1/20 0.41
CHRM4 P08173 3/20 0.40
CHRM2 P08172 2/20 0.39
MGLL Q99685 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC6A7 Q99884 1/20 0.39
CHRM3 P20309 1/20 0.39
HRH2 P25021 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL2593708 1.00 CYP2D6 (0.43) CYP2D6GSK3BACHECHRM4CHRM2
Tert-Butyl Formate SCHEMBL27914125 0.78 CYP2D6 (0.47) CYP2D6GSK3BACHECHRM4MGLL
SCHEMBL2588481 0.74 HSD11B1 (0.59) GPR119
SCHEMBL2588484 0.74 HSD11B1 (0.59) GPR119
SCHEMBL12182605 0.73 HSD11B1 (0.69)
SCHEMBL2591275 0.73 HSD11B1 (0.69)
SCHEMBL2591273 0.73 HSD11B1 (0.69)
SCHEMBL3468098 0.73 SCN4A (0.42) CHRM4CYP3A4CYP2C9
SCHEMBL3664004 0.72 MGLL (0.49) CHRM4MGLLHRH2GPR119PTGDR2
SCHEMBL3664002 0.72 MGLL (0.49) CHRM4MGLLHRH2GPR119PTGDR2

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-2566859-B1 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO LTD (KR) 2016-12-21 EP disclosed
US-9096571-B2 Picolinamide and pyrimidine-4-carboxamide compounds, process for preparing and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-08-04 US disclosed
US-20130210811-A1 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2013-08-15 US disclosed
EP-2566859-A2 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Sk Chemicals Co., Ltd. (KR) 2013-03-13 EP disclosed
WO-2011139107-A2 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO.,LTD. (KR) 2011-11-10 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-20130210811-A1 PICOLINAMIDE AND PYRIMIDINE-4-CARBOXAMIDE COMPOUNDS, PROCESS FOR PREPARING AND PHAMACEUTICAL COMPOSITION COMPRISING THE SAME HSD11B1, HSD11B2, G6PC1 CYP2D6 1277/4885GSK3B 1039/4885ACHE 3723/4885

“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.