SCHEMBL4094920

SCHEMBL4094920

O=C(N1CC(CO)C(c2ccccc2)C1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
CCR5 P51681 11/20 0.45
RORC P51449 6/20 0.42
NMT1 P30419 2/20 0.41

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
SCHEMBL4108855 1.00 KDM1A (0.48) KDM1ACCR5RORCNMT1
SCHEMBL4105850 1.00 KDM1A (0.48) KDM1ACCR5RORCNMT1
SCHEMBL1095901 0.88 KDM1A (0.54) KDM1ACCR5RORC
SCHEMBL1105747 0.88 KDM1A (0.54) KDM1ACCR5RORC
SCHEMBL1094966 0.88 KDM1A (0.54) KDM1ACCR5RORC
SCHEMBL4099146 0.83 CCR5 (0.48) CCR5NMT1
SCHEMBL7882945 0.81 CCR5 (0.46) CCR5RORCNMT1
SCHEMBL4108008 0.81 CCR5 (0.46) CCR5RORCNMT1
SCHEMBL13104864 0.78 NMT1 (0.50) CCR5NMT1
SCHEMBL4108752 0.78 RORC (0.40) KDM1ACCR5RORC

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
EP-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US disclosed
EP-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-01-30 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-20090062366-A1 Pyrrolidine derivative or salt thereof CASR, CYP2R1, PTH1R KDM1A 3301/4885CCR5 1050/4885RORC 1397/4885

“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.