SCHEMBL2593742

SCHEMBL2593742

CC1CCN(C(=O)c2cccc(N3CCC(C)CC3)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.58
ACHE P22303 1/20 0.51
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
GNE Q9Y223 1/20 0.47
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
TRPC3 Q13507 2/20 0.45
TRPC6 Q9Y210 2/20 0.45

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
SCHEMBL2591255 0.93 HSD11B1 (0.56) HSD11B1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL15188020 0.88 HSD11B1 (0.50) HSD11B1ACHERAB9ASMN1; SMN2ALDH1A1
SCHEMBL2591221 0.87 HSD11B1 (0.48) HSD11B1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL2590236 0.87 HSD11B1 (0.53) HSD11B1ACHESMN1; SMN2HPGDALDH1A1
SCHEMBL12182486 0.87 RAB9A (0.53) HSD11B1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL12183553 0.87 HSD11B1 (0.55) HSD11B1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2593449 0.85 TRPC6 (0.50) HSD11B1NPC1RAB9AHPGDLMNA
SCHEMBL12182407 0.85 GAA (0.57) HSD11B1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2593371 0.84 HSD11B1 (0.47) HSD11B1SMN1; SMN2GNEHPGDALDH1A1
SCHEMBL13450099 0.82 HSD11B1 (0.61) HSD11B1ACHENPC1RAB9ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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-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
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
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 HSD11B1 1/4885ACHE 3723/4885NPC1 849/4885

“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.