SCHEMBL4094853

SCHEMBL4094853

O=C[C@H]1CN(C(=O)C(F)(F)F)C[C@@H]1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
RORC P51449 5/20 0.40
TACR1 P25103 4/20 0.40
RIPK1 Q13546 1/20 0.39
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CCR5 P51681 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TLR2 O60603 2/20 0.34
TLR1 Q15399 2/20 0.34

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
SCHEMBL4096415 1.00 KDM1A (0.48) KDM1ARORCTACR1RIPK1ESR1
SCHEMBL1096191 0.88 KDM1A (0.54) KDM1ARORCTACR1RIPK1CCR5
SCHEMBL1096468 0.88 KDM1A (0.54) KDM1ARORCRIPK1
SCHEMBL31611372 0.83 TLR2 (0.38) KDM1ARORCCCR5HRH3TLR2
SCHEMBL25785910 0.78 ACHE (0.40) HRH3TLR2TLR1
SCHEMBL4094920 0.77 KDM1A (0.48) KDM1ARORCCCR5
SCHEMBL4108855 0.77 KDM1A (0.48) KDM1ARORCCCR5
SCHEMBL4105850 0.77 KDM1A (0.48) KDM1ARORCCCR5
SCHEMBL2342856 0.77 RORC (0.60) RORCTACR1
SCHEMBL4139712 0.77 USP7 (0.40) KDM1ARORCTACR1RIPK1CCR5

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 3301/4885RORC 1397/4885TACR1 25/4885

“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.