SCHEMBL4363653

SCHEMBL4363653

O=C(O)NC1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.56
▸ HRH3 Q9Y5N1 2/20 0.52
▸ LIPE Q05469 1/20 0.50
▸ EPHX1 P07099 2/20 0.49
▸ PANK3 Q9H999 2/20 0.47
▸ KCNH2 Q12809 5/20 0.47
▸ NTRK1 P04629 4/20 0.47
▸ NTRK3 Q16288 1/20 0.47
▸ NTRK2 Q16620 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ OPRK1 P41145 1/20 0.47

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
SCHEMBL4363650 1.00 EPHX2 (0.56) EPHX2HRH3LIPEEPHX1PANK3
SCHEMBL12225516 0.86 EPHX2 (0.54) EPHX2HRH3LIPEEPHX1PANK3
SCHEMBL25225367 0.83 ALDH1A1 (0.57) EPHX2KCNH2ALDH1A1
SCHEMBL2539421 0.81 HRH3 (0.56) EPHX2HRH3LIPEPANK3KCNH2
SCHEMBL2539413 0.81 HRH3 (0.56) EPHX2HRH3LIPEPANK3KCNH2
SCHEMBL19506327 0.80 HRH3 (0.58) EPHX2HRH3LIPEPANK3KCNH2
SCHEMBL19506243 0.80 HRH3 (0.57) EPHX2HRH3LIPEPANK3KCNH2
SCHEMBL4368982 0.80 HRH3 (0.49) EPHX2HRH3LIPEPANK3KCNH2
SCHEMBL4368988 0.80 HRH3 (0.49) EPHX2HRH3LIPEPANK3KCNH2
SCHEMBL16828777 0.79 HRH3 (0.62) EPHX2HRH3LIPEPANK3KCNH2

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-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 — — US disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 — — EP 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R EPHX2 4720/4885HRH3 323/4885LIPE 3531/4885

“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.

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