SCHEMBL6714741

SCHEMBL6714741

CCC1CCCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 5/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MCOLN3 Q8TDD5 1/20 0.47
MAPK1 P28482 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
POLB P06746 1/20 0.44
HRH3 Q9Y5N1 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13292851 0.96 KMT2A (0.50) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL6605777 0.94 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKMT2AMEN1
Morpholine SCHEMBL27719 0.88 SIRT6 (0.47) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL3136982 0.86 CUL4A (0.51) ALDH1A1LMNAMAPTSIRT6POLB
SCHEMBL2886399 0.82 MAPT (0.49) ALDH1A1LMNAMAPTMAPK1HRH3
SCHEMBL12006068 0.82 MAPT (0.49) ALDH1A1LMNAMAPTMAPK1HRH3
SCHEMBL28185991 0.81 MAPT (0.47) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL6095682 0.81 MAPT (0.47) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL1092846 0.81 MAPT (0.47) ALDH1A1MAPTMAPK1SIRT6POLB
SCHEMBL5653005 0.81 MAPT (0.47) ALDH1A1MAPTMAPK1SIRT6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102827082-B Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO CO LTD 2015-01-07 CN disclosed
CN-102341385-B Piperazine compound capable of inhibiting prostaglandin d synthase TAIHO PHARMACEUTICAL CO LTD 2014-01-15 CN disclosed
CN-102341385-A Piperazine compound capable of inhibiting prostaglandin d synthase TAIHO PHARMACEUTICAL CO LTD 2012-02-01 CN disclosed
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-30 US disclosed
US-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-11-13 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-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC ALDH1A1 404/4885LMNA 1397/4885MAPT 3514/4885
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC ALDH1A1 404/4885LMNA 1397/4885MAPT 3514/4885
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC ALDH1A1 404/4885LMNA 1397/4885MAPT 3514/4885
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC ALDH1A1 404/4885LMNA 1397/4885MAPT 3514/4885
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC ALDH1A1 404/4885LMNA 1397/4885MAPT 3514/4885

“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.