SCHEMBL1749412

SCHEMBL1749412

Nc1ccc(N2CC(CNC(=O)O)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.41
CASP6 P55212 1/20 0.41
MAPT P10636 14/20 0.39
ALDH1A1 P00352 10/20 0.39
KDM4E B2RXH2 6/20 0.39
TDP1 Q9NUW8 4/20 0.39
MCL1 Q07820 3/20 0.39
HPGD P15428 1/20 0.39
NAMPT P43490 1/20 0.39
CYP2D6 P10635 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
MAPK1 P28482 4/20 0.37
ALOX15 P16050 3/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 4/20 0.36
MEN1 O00255 3/20 0.36

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
SCHEMBL1749697 0.88 MAPT (0.52) GFERMAPTALDH1A1KDM4ETDP1
SCHEMBL1749694 0.88 MAPT (0.52) GFERMAPTALDH1A1KDM4ETDP1
SCHEMBL3123610 0.85 GFER (0.45) GFERCASP6MAPTALDH1A1KDM4E
SCHEMBL20610450 0.81 MAPT (0.59) GFERMAPTALDH1A1KDM4ETDP1
SCHEMBL3699587 0.80 MAPT (0.47) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL23983401 0.74 MAPT (0.44) GFERCASP6MAPTALDH1A1KDM4E
SCHEMBL4304769 0.74 CHRM4 (0.51)
SCHEMBL6120797 0.73 NAMPT (0.72) NAMPT
SCHEMBL3541019 0.72 CYP2D6 (0.45) MAPTALDH1A1TDP1CYP2D6MAPK1
SCHEMBL3541017 0.72 CYP2D6 (0.45) MAPTALDH1A1TDP1CYP2D6MAPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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 (5 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK GFER 4186/4885CASP6 2531/4885MAPT 386/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 GFER 4373/4885CASP6 2733/4885MAPT 512/4885
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 GFER 823/4885CASP6 2626/4885MAPT 4824/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 GFER 637/4885CASP6 2272/4885MAPT 4800/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 GFER 4373/4885CASP6 2733/4885MAPT 512/4885

“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.