SCHEMBL4101097

SCHEMBL4101097

CC(C)(C)[Si](C)(C)OC[C@H]1CN(C(=O)CCCCC(=O)OCc2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCR5 P51681 6/20 0.39
MAPT P10636 2/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4758698 0.82 CCR5 (0.35) CYP3A4CCR5MAPTHTTNPSR1
SCHEMBL4096452 0.82 CCR5 (0.35) CYP3A4CCR5MAPTHTTNPSR1
SCHEMBL4113187 0.77 CCR5 (0.44) ALDH1A1CCR5MAPTTDP1SMN1; SMN2
SCHEMBL4093859 0.72 CCR5 (0.39) CCR5
SCHEMBL4111698 0.72 CCR5 (0.39) CCR5
SCHEMBL4101475 0.69 RORC (0.40) CCR5
SCHEMBL4108752 0.69 RORC (0.40) CCR5
SCHEMBL4093866 0.69 RORC (0.40) CCR5
SCHEMBL27717247 0.68 ALDH1A1 (0.57) ALDH1A1MAPTTDP1MAPK1KMT2A
SCHEMBL7308118 0.68 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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 2179/4885CYP1A2 1088/4885CYP3A4 637/4885

“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.