SCHEMBL2513459

SCHEMBL2513459

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.48
ACHE P22303 1/20 0.45
MGLL Q99685 2/20 0.43
SCN8A Q9UQD0 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CHRNA7 P36544 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
TRPV1 Q8NER1 3/20 0.40
MAPT P10636 1/20 0.39
GCGR P47871 1/20 0.38
CCR6 P51684 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38

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
SCHEMBL2515274 1.00 LIPE (0.48) LIPEACHEMGLLSCN8AHTR3E
SCHEMBL2517965 0.88 LIPE (0.47) LIPEACHEMGLLSCN8AHTR3E
SCHEMBL2518124 0.87 LIPE (0.47) LIPEACHEMGLLSCN8AHTR3E
SCHEMBL2517173 0.87 LIPE (0.47) LIPEACHEMGLLSCN8AHTR3E
SCHEMBL2513561 0.85 LIPE (0.45) LIPEACHEMGLLSCN8AHTR3E
SCHEMBL2520145 0.85 LIPE (0.45) LIPEACHEMGLLSCN8ATRPV1
SCHEMBL2517397 0.83 LIPE (0.43) LIPEACHEMGLLSCN8AHTR3E
SCHEMBL2517138 0.82 LIPE (0.53) LIPEMGLLCHRNA7DPP4DPP8
SCHEMBL2522801 0.82 LIPE (0.53) LIPEMGLLCHRNA7DPP4DPP8
SCHEMBL2514408 0.81 LIPE (0.42) LIPEACHEMGLLSCN8AGCGR

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 2 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

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 2049/4885ACHE 2230/4885MGLL 1404/4885

“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.