SCHEMBL2522733

SCHEMBL2522733

COc1ccc(C(c2ccc(Cl)cc2)N2CC[C@@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.49
HRH3 Q9Y5N1 5/20 0.48
MCHR1 Q99705 1/20 0.47
DRD4 P21917 1/20 0.46
HTR2A P28223 1/20 0.46
LMNA P02545 1/20 0.46
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
SLC6A5 Q9Y345 2/20 0.44
MGLL Q99685 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4D Q6B0I6 2/20 0.43
CXCR6 O00574 1/20 0.43
KDM5A P29375 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
SCHEMBL5251896 1.00 LIPE (0.49) LIPEHRH3MCHR1DRD4HTR2A
SCHEMBL2517138 0.95 LIPE (0.53) LIPEHRH3DRD4HTR2ASLC6A5
SCHEMBL2522801 0.95 LIPE (0.53) LIPEHRH3DRD4HTR2ASLC6A5
Hydrochloric Acid SCHEMBL5253957 0.94 LIPE (0.52) LIPEHRH3DRD4HTR2ASLC6A5
Hydrochloric Acid SCHEMBL2517190 0.94 LIPE (0.52) LIPEHRH3DRD4HTR2ASLC6A5
SCHEMBL2512122 0.91 LIPE (0.49) LIPEHRH3DRD4HTR2ASLC6A5
SCHEMBL2520047 0.88 LIPE (0.47) LIPEHRH3DRD4HTR2ASLC6A5
SCHEMBL2512124 0.88 LIPE (0.47) LIPEHRH3DRD4HTR2ASLC6A5
SCHEMBL2514746 0.88 LIPE (0.47) LIPEHRH3DRD4HTR2ASLC6A5
SCHEMBL5251808 0.88 LIPE (0.47) LIPEHRH3DRD4HTR2ASLC6A5

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
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 LIPE 2049/4885HRH3 5/4885MCHR1 76/4885

“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.