SCHEMBL4101462

SCHEMBL4101462

Cc1ccccc1[C@H]1CN(C(=O)O)C[C@@H]1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
TOP2A P11388 4/20 0.33
TBXA2R P21731 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HDAC4 P56524 1/20 0.33
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
MAOB P27338 1/20 0.32
RORC P51449 1/20 0.32
CHRM4 P08173 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
TACR1 P25103 1/20 0.31

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
SCHEMBL4093859 0.86 CCR5 (0.39) RORC
SCHEMBL4111698 0.86 CCR5 (0.39) RORC
SCHEMBL4100869 0.82 TBXA2R (0.39) HTR2AHTR2CHTR2BTOP2ATBXA2R
SCHEMBL27042488 0.82 ALDH1A1 (0.36) MAPT
SCHEMBL4107979 0.80 DRD2 (0.41) HTR2AHTR2CHTR2BTBXA2RRORC
SCHEMBL4112161 0.80 ALOX5 (0.36) TOP2ATSHRCHRM4MAPTHTT
SCHEMBL4102969 0.78 CCR5 (0.42) TSHRCHRM4MAPT
SCHEMBL4101475 0.76 RORC (0.40) RORCTACR1
SCHEMBL4108752 0.76 RORC (0.40) RORCTACR1
SCHEMBL4093866 0.76 RORC (0.40) RORCTACR1

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 HTR2A 2117/4885HTR2C 2328/4885HTR2B 2231/4885

“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.