SCHEMBL5016399

SCHEMBL5016399

CN(C[C@@H](CCN1CC(N2CCC(O)CC2)C1)c1ccc(F)cc1)C(=O)c1cc(C#N)cc2c1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 16/20 0.41
TACR1 P25103 3/20 0.40
TACR3 P29371 3/20 0.40
CACNA1F O60840 1/20 0.33
HTR1A P08908 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
DRD2 P14416 1/20 0.33
CNR1 P21554 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
SLC6A2 P23975 1/20 0.33
HRH2 P25021 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL5013763 1.00 TACR2 (0.41) TACR2TACR1TACR3CACNA1FHTR1A
Acetic Acid SCHEMBL4271112 0.98 TACR2 (0.41) TACR2TACR1TACR3CACNA1FHTR1A
SCHEMBL4410645 0.95 TACR2 (0.42) TACR2TACR1TACR3CACNA1FHTR1A
SCHEMBL5136246 0.94 TACR2 (0.40) TACR2TACR1TACR3CACNA1FHTR1A
SCHEMBL5135145 0.93 TACR2 (0.39) TACR2TACR1TACR3
SCHEMBL4271116 0.92 TACR2 (0.39) TACR2TACR1TACR3CACNA1FHTR1A
SCHEMBL4255036 0.91 TACR2 (0.50) TACR2TACR1TACR3
SCHEMBL5814301 0.91 TACR2 (0.50) TACR2TACR1TACR3
SCHEMBL4259228 0.91 TACR2 (0.40) TACR2TACR1TACR3
SCHEMBL5012903 0.91 TACR2 (0.40) TACR2TACR1TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006062478-A1 NOVEL TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2006-06-15 WO claimed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-20060172988-A1 Azetidine compounds ALBIREO AB (SE) 2006-08-03 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-20060172988-A1 Azetidine compounds HRH2, HRH4, HRH1 TACR2 19/4885TACR1 28/4885TACR3 74/4885

“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.