SCHEMBL6608147

SCHEMBL6608147

CC1(C)CCCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.63
LMNA P02545 3/20 0.57
SIRT6 Q8N6T7 2/20 0.55
ALDH1A1 P00352 5/20 0.51
POLB P06746 1/20 0.51
ADRB1 P08588 1/20 0.51
CRBN Q96SW2 2/20 0.51
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 1/20 0.47
AKR1C3 P42330 1/20 0.47

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
SCHEMBL22466224 0.90 SIRT6 (0.58) MAPTLMNASIRT6ALDH1A1POLB
SCHEMBL14637993 0.85 MAPT (0.59) MAPTLMNASIRT6ALDH1A1POLB
SCHEMBL14636949 0.85 MAPT (0.59) MAPTLMNASIRT6ALDH1A1POLB
SCHEMBL14637947 0.84 MAPT (0.55) MAPTLMNASIRT6ALDH1A1POLB
SCHEMBL14636957 0.83 MAPT (0.54) MAPTLMNASIRT6ALDH1A1POLB
SCHEMBL30808428 0.83 MAPT (0.61) MAPTLMNASIRT6ALDH1A1POLB
SCHEMBL15319250 0.83 MAPT (0.61) MAPTLMNASIRT6ALDH1A1POLB
SCHEMBL15106707 0.81 MAPT (0.51) MAPTLMNASIRT6ALDH1A1POLB
SCHEMBL14636531 0.81 MAPT (0.58) MAPTLMNAALDH1A1POLBSMN1; SMN2
SCHEMBL25366550 0.80 SIRT6 (0.67) MAPTLMNASIRT6ALDH1A1POLB

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 3514/4885LMNA 1397/4885SIRT6 4263/4885
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885LMNA 1397/4885SIRT6 4263/4885
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885LMNA 1397/4885SIRT6 4263/4885
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885LMNA 1397/4885SIRT6 4263/4885
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885LMNA 1397/4885SIRT6 4263/4885

“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.