SCHEMBL2518097

SCHEMBL2518097

N#Cc1ccc(C(c2ccc(C(F)(F)F)cc2)N2CC[C@@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
SLC6A5 Q9Y345 11/20 0.47
KDM4D Q6B0I6 2/20 0.45
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
SCN1A P35498 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
EPHX2 P34913 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL2515945 1.00 HRH2 (0.47) HRH2HRH1SLC6A5KDM4DDRD4
SCHEMBL5254458 1.00 HRH2 (0.47) HRH2HRH1SLC6A5KDM4DDRD4
SCHEMBL5253779 1.00 HRH2 (0.47) HRH2HRH1SLC6A5KDM4DDRD4
SCHEMBL2513583 0.96 HRH2 (0.49) HRH2HRH1SLC6A5KDM4DDRD4
SCHEMBL2513364 0.96 HRH2 (0.49) HRH2HRH1SLC6A5KDM4DDRD4
SCHEMBL2517954 0.96 HRH2 (0.49) HRH2HRH1SLC6A5KDM4DDRD4
SCHEMBL5254023 0.96 HRH2 (0.49) HRH2HRH1SLC6A5KDM4DDRD4
SCHEMBL5255067 0.93 NPC1 (0.49) HRH2HRH1SLC6A5KDM4DDRD4
SCHEMBL2515970 0.93 NPC1 (0.49) HRH2HRH1SLC6A5KDM4DDRD4
SCHEMBL2515968 0.93 NPC1 (0.49) HRH2HRH1SLC6A5KDM4DDRD4

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-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US claimed
EP-1748980-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2007-02-07 EP claimed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 WO claimed
US-8034949-B2 Pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-11 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
EP-1748980-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2007-02-07 EP disclosed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 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 (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-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 HRH2 15/4885HRH1 12/4885SLC6A5 2418/4885

“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.