SCHEMBL554314

SCHEMBL554314

CN1CCCc2ccc(Cn3cc(C(=O)O)cn3)cc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 6/20 0.62
L3MBTL1 Q9Y468 2/20 0.45
ACHE P22303 3/20 0.45
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPV1 Q8NER1 2/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
RIPK1 Q13546 1/20 0.38
F11 P03951 1/20 0.38
S1PR1 P21453 1/20 0.37
KLK1 P06870 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL574638 0.91 KLKB1 (0.57) KLKB1L3MBTL1ACHEHSD17B10POLB
SCHEMBL554625 0.87 KLKB1 (0.59) KLKB1ACHEHSD17B10POLBF11
SCHEMBL553802 0.84 KLKB1 (0.67) KLKB1L3MBTL1HSD17B10POLBTDP1
SCHEMBL553087 0.78 KLKB1 (1.00) KLKB1
SCHEMBL553932 0.74 KLKB1 (0.65) KLKB1
SCHEMBL20119174 0.74 ALDH1A1 (0.56) L3MBTL1ACHEHSD17B10POLBTDP1
SCHEMBL1912400 0.73 HSD17B10 (0.77) KLKB1L3MBTL1HSD17B10POLBTDP1
SCHEMBL553923 0.73 KLKB1 (0.62) KLKB1L3MBTL1HSD17B10POLBTDP1
SCHEMBL29405440 0.72 ENPP2 (0.45) KLKB1F11ALDH1A1
SCHEMBL948453 0.72 HSD17B10 (0.61) KLKB1L3MBTL1HSD17B10POLBTDP1

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-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 EP disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 EP disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
WO-2012017020-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2012-02-09 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-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES TPMT, REN, PNMT KLKB1 4526/4885L3MBTL1 4829/4885ACHE 325/4885

“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.