SCHEMBL4106508

SCHEMBL4106508

CC(c1cccc2ccccc12)N(CC1CNCC1Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.47
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
HTR2A P28223 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
HTR2B P41595 2/20 0.47
KCNH2 Q12809 2/20 0.47
SSTR4 P31391 1/20 0.44
CTSD P07339 2/20 0.41
CTSE P14091 2/20 0.41
PGC P20142 2/20 0.41
EPHX2 P34913 2/20 0.40

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
SCHEMBL4099323 1.00 REN (0.47) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL4094876 0.85 SSTR4 (0.44) RENSSTR4EPHX2
SCHEMBL4093834 0.85 SSTR4 (0.44) RENSSTR4EPHX2
SCHEMBL4106036 0.85 SSTR4 (0.44) RENSSTR4EPHX2
SCHEMBL4094874 0.85 SSTR4 (0.44) RENSSTR4EPHX2
SCHEMBL4067653 0.80 SSTR4 (0.41) KCNH2SSTR4
SCHEMBL3579316 0.78 SSTR4 (0.41) KCNH2SSTR4
SCHEMBL4110232 0.78 SSTR4 (0.44) KCNH2SSTR4
SCHEMBL3576277 0.76 SSTR4 (0.38) RENKCNH2SSTR4
SCHEMBL13177317 0.75 REN (0.64) RENHTR1AADRA1DHTR2AADRA1A

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 REN 6/4885HTR1A 2296/4885ADRA1D 469/4885

“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.