SCHEMBL5656230

SCHEMBL5656230

CCOc1ccccc1N(CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.53
ENPP2 Q13822 6/20 0.47
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
DRD4 P21917 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR1A P08908 2/20 0.45
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 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
SCHEMBL5656238 1.00 HTR7 (0.53) HTR7ENPP2DRD2DRD3DRD4
SCHEMBL5657837 0.87 HTR1A (0.56) HTR7DRD2DRD4ALDH1A1HTR1A
SCHEMBL5657971 0.86 KCNH2 (0.50) HTR7DRD2DRD3DRD4ALDH1A1
SCHEMBL5657779 0.86 HTR1A (0.59) HTR7MEN1KMT2AHTR1ASIGMAR1
SCHEMBL5656134 0.86 HTR1A (0.48) HTR7DRD4HTR1ALMNAMAPT
SCHEMBL5656201 0.85 HTR1A (0.55) HTR7DRD2DRD3DRD4MEN1
SCHEMBL5654667 0.82 HTR7 (0.53) HTR7HTR1ASIGMAR1MAPT
SCHEMBL5655950 0.81 HTR1A (0.50) HTR7DRD4HTR1ASIGMAR1MAPT
SCHEMBL5658017 0.81 HTR7 (0.58) HTR7DRD2DRD4MEN1KMT2A
SCHEMBL5656018 0.81 KCNH2 (0.54) HTR7DRD2DRD3DRD4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238693-B2 Aryl carbamate derivatives, preparation and use thereof CEREP (FR) 2007-07-03 US disclosed
US-20050267126-A1 Compounds derived from aryl carbamates, preparation thereof and uses of same CEREP (FR) 2005-12-01 US disclosed
US-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof CEREP (FR) 2004-03-25 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 (2 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-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof HTR4, HTR5A, HTR3C HTR7 13/4885ENPP2 636/4885DRD2 73/4885
US-20050267126-A1 Compounds derived from aryl carbamates, preparation thereof and uses of same HTR4, HTR2B, HTR1B HTR7 9/4885ENPP2 504/4885DRD2 96/4885

“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.