SCHEMBL1979469

SCHEMBL1979469

CNC(=O)c1ccc(OCCCCN2C[C@H]3CC[C@H]3C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.59
HTR1A P08908 1/20 0.55
DRD2 P14416 1/20 0.55
HTR2A P28223 1/20 0.55
PLK1 P53350 2/20 0.55
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 2/20 0.53
HRH2 P25021 3/20 0.49
HRH1 P35367 3/20 0.49
TBXAS1 P24557 1/20 0.49

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
SCHEMBL2025211 0.96 HRH3 (0.64) HRH3HTR1ADRD2HTR2APLK1
Hydrochloric Acid SCHEMBL1977487 0.95 HRH3 (0.62) HRH3HTR1ADRD2HTR2APLK1
SCHEMBL3828540 0.93 HTR1A (0.55) HRH3HTR1ADRD2HTR2APLK1
SCHEMBL4495175 0.91 HRH3 (0.68) HRH3HTR1ADRD2HTR2APLK1
SCHEMBL14241012 0.91 HRH3 (0.72) HRH3HTR1ADRD2HTR2APLK1
SCHEMBL4486197 0.91 HRH3 (0.72) HRH3HTR1ADRD2HTR2APLK1
SCHEMBL3824679 0.89 HRH3 (0.57) HRH3HTR1ADRD2HTR2APLK1
SCHEMBL1979219 0.83 HRH3 (0.83) HRH3KDM4EKMT2AALDH1A1HTT
SCHEMBL2023640 0.82 HRH3 (0.59) HRH3KDM4EKMT2AALDH1A1HTT
SCHEMBL1978634 0.82 HRH3 (0.65) HRH3DRD2KDM4EKMT2AALDH1A1

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 HRH3 3/4885HTR1A 66/4885DRD2 560/4885

“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.