SCHEMBL2517138

SCHEMBL2517138

O=C(N[C@@H]1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.53
DRD4 P21917 3/20 0.49
HTR2A P28223 2/20 0.49
HRH3 Q9Y5N1 5/20 0.49
MGLL Q99685 1/20 0.47
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
SLC6A5 Q9Y345 2/20 0.46
CCR2 P41597 2/20 0.45
KDM4D Q6B0I6 1/20 0.44
CHRNA7 P36544 1/20 0.44
DRD2 P14416 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A9 P48067 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
SCHEMBL2522801 1.00 LIPE (0.53) LIPEDRD4HTR2AHRH3MGLL
Hydrochloric Acid SCHEMBL2517190 0.99 LIPE (0.52) LIPEDRD4HTR2AHRH3MGLL
Hydrochloric Acid SCHEMBL5253957 0.99 LIPE (0.52) LIPEDRD4HTR2AHRH3MGLL
SCHEMBL2522733 0.95 LIPE (0.49) LIPEDRD4HTR2AHRH3MGLL
SCHEMBL2512122 0.95 LIPE (0.49) LIPEDRD4HTR2AHRH3MGLL
SCHEMBL5251896 0.95 LIPE (0.49) LIPEDRD4HTR2AHRH3MGLL
SCHEMBL5251808 0.93 LIPE (0.47) LIPEDRD4HTR2AHRH3MGLL
SCHEMBL2520047 0.93 LIPE (0.47) LIPEDRD4HTR2AHRH3MGLL
SCHEMBL2514746 0.93 LIPE (0.47) LIPEDRD4HTR2AHRH3MGLL
SCHEMBL2512124 0.93 LIPE (0.47) LIPEDRD4HTR2AHRH3MGLL

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 2049/4885DRD4 30/4885HTR2A 128/4885

“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.