SCHEMBL1980710

SCHEMBL1980710

CC(=O)Nc1ccc(OCCN2C[C@H]3CC[C@H]3C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TBXAS1 P24557 1/20 0.55
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DRD2 P14416 3/20 0.52
MAPT P10636 3/20 0.50
HTR2A P28223 2/20 0.50
HTR1A P08908 1/20 0.50
GAA P10253 1/20 0.49
HRH3 Q9Y5N1 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.48
LTA4H P09960 1/20 0.47
KCNA5 P22460 2/20 0.47
NTRK1 P04629 1/20 0.47
FLT3 P36888 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
SCHEMBL1978870 0.94 DRD2 (0.60) ALDH1A1TBXAS1LMNAMEN1KMT2A
SCHEMBL1977592 0.92 DRD2 (0.56) ALDH1A1TBXAS1LMNAMEN1KMT2A
SCHEMBL3826676 0.92 ALDH1A1 (0.56) ALDH1A1TBXAS1LMNAMEN1KMT2A
SCHEMBL4500729 0.89 HRH3 (0.65) ALDH1A1TBXAS1LMNAMEN1KMT2A
SCHEMBL3824042 0.86 DRD2 (0.60) ALDH1A1TBXAS1LMNAMEN1KMT2A
Oxalic Acid SCHEMBL4497957 0.86 HRH3 (0.61) ALDH1A1LMNAMEN1KMT2ADRD2
SCHEMBL3830162 0.85 DRD2 (0.56) ALDH1A1TBXAS1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL1977507 0.84 KCNA5 (0.51) ALDH1A1KMT2AMAPTGAAHRH3
SCHEMBL7253388 0.80 KCNA5 (0.48) LMNATDP1DRD2HTR2AGAA
SCHEMBL1977569 0.79 HRH3 (0.53) ALDH1A1KMT2ADRD2MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332910-B1 New derivatives of azabicyclo[3.2.0]hept-3-yl, method for preparing same and pharmaceutical compositions containing them SERVIER LAB (FR) 2013-01-30 EP disclosed
US-8008337-B2 Azabicyclo[3.2.0] hept-3-yl compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-08-30 US disclosed
EP-2332910-A1 New derivatives of azabicyclo[3.2.0]hept-3-yl, method for preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2011-06-15 EP disclosed
US-20110136886-A1 Azabicyclo[3.2.0] hept-3-yl compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-06-09 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 (1 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-20110136886-A1 Azabicyclo[3.2.0] hept-3-yl compounds, a process for their preparation and pharmaceutical compositions containing them HRH2, HRH4, HRH3 ALDH1A1 427/4885TBXAS1 796/4885LMNA 2840/4885

“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.