SCHEMBL4096260

SCHEMBL4096260

CC(C)(C)[Si](C)(C)OC[C@H]1CNC[C@@H]1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
GRIA4 P48058 1/20 0.32
EPHX1 P07099 1/20 0.32
CRYZ Q08257 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4110226 0.82 CYP3A4 (0.40) ALDH1A1LMNA
SCHEMBL4104919 0.81 CCR5 (0.43) MAPT
SCHEMBL7496126 0.81 CCR5 (0.43) MAPT
SCHEMBL4102126 0.81 CCR5 (0.43) MAPT
SCHEMBL4104233 0.81 CCR5 (0.43) MAPT
SCHEMBL7496731 0.75 THRB (0.30)
SCHEMBL7498178 0.75 THRB (0.30)
SCHEMBL4113187 0.75 CCR5 (0.44) ALDH1A1LMNAPOLBMAPT
SCHEMBL4100379 0.74 CYP2A6 (0.38) ALDH1A1CHRNB4CHRNA3MAPT
SCHEMBL7499691 0.73 HTR2C (0.42) ALDH1A1

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 ALDH1A1 2179/4885LMNA 4308/4885RECQL 4167/4885

“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.