SCHEMBL1909166

SCHEMBL1909166

CCOC(=O)c1cnn(Cc2ccc(CC)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.53
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KLKB1 P03952 5/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ESR1 P03372 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
ESR2 Q92731 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
KLK1 P06870 1/20 0.44

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
SCHEMBL2821953 0.93 LMNA (0.54) GRM2LMNAALDH1A1KLKB1HSD17B10
SCHEMBL28595790 0.93 ESR1 (0.55) GRM2LMNAALDH1A1MEN1KMT2A
SCHEMBL3092869 0.92 HSD17B10 (0.51) GRM2LMNAALDH1A1KLKB1HSD17B10
SCHEMBL16246754 0.92 KLKB1 (0.57) GRM2LMNAALDH1A1KLKB1HSD17B10
SCHEMBL553801 0.92 GRM2 (0.53) GRM2LMNAALDH1A1KLKB1HSD17B10
SCHEMBL554548 0.92 GRM2 (0.51) GRM2LMNAALDH1A1MEN1KMT2A
SCHEMBL30739426 0.91 GRM2 (0.50) GRM2LMNAALDH1A1KLKB1HSD17B10
SCHEMBL30739239 0.91 GRM2 (0.50) GRM2LMNAALDH1A1KLKB1HSD17B10
SCHEMBL3093449 0.91 GRM2 (0.63) GRM2LMNAALDH1A1MEN1KMT2A
SCHEMBL553854 0.91 HSD17B10 (0.60) GRM2LMNAALDH1A1MEN1KMT2A

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-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 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-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES TPMT, REN, PNMT GRM2 237/4885LMNA 1188/4885ALDH1A1 1337/4885

“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.