SCHEMBL6607407

SCHEMBL6607407

CCCCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
NR1H2 P55055 1/20 0.54
NR1H3 Q13133 1/20 0.54
CRHBP P24387 3/20 0.54
CRHR2 Q13324 3/20 0.54
AR P10275 4/20 0.53
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ATM Q13315 1/20 0.51
TLR9 Q9NR96 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
NR3C1 P04150 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL18660114 0.88 CRHBP (0.58) MAPTCRHBPCRHR2ARALDH1A1
SCHEMBL29337376 0.86 NR1H2 (0.57) MAPTNR1H2NR1H3CRHBPCRHR2
SCHEMBL8537467 0.85 CRHBP (0.61) MAPTCRHBPCRHR2ARALDH1A1
SCHEMBL5835749 0.85 MAPT (0.73) MAPTCRHBPCRHR2ARALDH1A1
SCHEMBL29334037 0.84 MAPT (0.53) MAPTCRHBPCRHR2ALDH1A1L3MBTL1
SCHEMBL627791 0.82 TSHR (0.66) NR1H2NR1H3CYP2C19CYP2D6TSHR
SCHEMBL11529925 0.81 TSHR (0.65) MAPTNR1H2NR1H3ALDH1A1KMT2A
SCHEMBL29337401 0.80 CNR2 (0.56) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL11730575 0.80 CRHBP (0.68) MAPTCRHBPCRHR2ALDH1A1KMT2A
SCHEMBL3691462 0.79 MAPT (0.64) MAPTCRHBPCRHR2ALDH1A1KMT2A

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 7 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

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 MAPT 3514/4885NR1H2 35/4885NR1H3 50/4885
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885NR1H2 35/4885NR1H3 50/4885
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885NR1H2 35/4885NR1H3 50/4885
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885NR1H2 35/4885NR1H3 50/4885
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885NR1H2 35/4885NR1H3 50/4885

“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.