SCHEMBL2513561

SCHEMBL2513561

O=C(NC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1N1CCCC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.45
MGLL Q99685 2/20 0.42
ACHE P22303 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CHRNA7 P36544 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 2/20 0.38
SCN8A Q9UQD0 1/20 0.38
MAPT P10636 1/20 0.38
ABHD6 Q9BV23 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL2517397 0.92 LIPE (0.43) LIPEMGLLACHEHTR3EHTR3B
SCHEMBL2515274 0.85 LIPE (0.48) LIPEMGLLACHEHTR3EHTR3B
SCHEMBL2513459 0.85 LIPE (0.48) LIPEMGLLACHEHTR3EHTR3B
SCHEMBL2517965 0.84 LIPE (0.47) LIPEMGLLACHEHTR3EHTR3B
SCHEMBL2517173 0.83 LIPE (0.47) LIPEMGLLACHEHTR3EHTR3B
SCHEMBL2518124 0.83 LIPE (0.47) LIPEMGLLACHEHTR3EHTR3B
SCHEMBL2520145 0.81 LIPE (0.45) LIPEMGLLACHELMNATP53
SCHEMBL2516276 0.80 SMN1; SMN2 (0.46) HTR3EHTR3BALOX15TSHRCHRNA7
SCHEMBL5250508 0.80 SMN1; SMN2 (0.46) HTR3EHTR3BALOX15TSHRCHRNA7
SCHEMBL2522801 0.80 LIPE (0.53) LIPEMGLLCHRNA7DPP4DPP8

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 2049/4885MGLL 1404/4885ACHE 2230/4885

“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.