SCHEMBL6610076

SCHEMBL6610076

CN(c1ccc([N+](=O)[O-])cc1)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MGLL Q99685 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACHE P22303 1/20 0.44
CYP19A1 P11511 2/20 0.44
CRHBP P24387 1/20 0.43

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
SCHEMBL22314755 0.91 MAPT (0.50) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL27178860 0.84 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL13247558 0.83 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL4485887 0.82 HRH4 (0.44) ALDH1A1MEN1KMT2AGAAATM
SCHEMBL10793007 0.79 POLB (0.45) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL16371016 0.78 MAPT (0.42) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL16391137 0.78 MAPT (0.42) ALDH1A1MEN1KMT2AMAPTL3MBTL1
Hydrochloric Acid SCHEMBL27940284 0.78 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL16371014 0.78 MAPT (0.42) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL28650416 0.78 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2AMAPTPOLB

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
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
EP-1418906-A1 AMINOALKYL-SUBSTITUTED AROMATIC BICYCLIC COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2004-05-19 EP 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
WO-2003015769-A1 AMINOALKYL-SUBSTITUTED AROMATIC BICYCLIC COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-02-27 WO disclosed
CN-1391557-A 6-substituted indolinones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2003-01-15 CN 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 404/4885MEN1 3604/4885KMT2A 674/4885
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC ALDH1A1 404/4885MEN1 3604/4885KMT2A 674/4885
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC ALDH1A1 404/4885MEN1 3604/4885KMT2A 674/4885
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC ALDH1A1 404/4885MEN1 3604/4885KMT2A 674/4885
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC ALDH1A1 404/4885MEN1 3604/4885KMT2A 674/4885

“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.