SCHEMBL4094876

SCHEMBL4094876

C[C@H](c1cccc2ccccc12)N(C[C@@H]1CNC[C@@H]1c1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 3/20 0.44
REN P00797 2/20 0.39
ALOX5 P09917 1/20 0.37
EPHX2 P34913 2/20 0.36
CYP2D6 P10635 1/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL4093834 1.00 SSTR4 (0.44) SSTR4RENALOX5EPHX2CYP2D6
SCHEMBL4106036 1.00 SSTR4 (0.44) SSTR4RENALOX5EPHX2CYP2D6
SCHEMBL4094874 1.00 SSTR4 (0.44) SSTR4RENALOX5EPHX2CYP2D6
SCHEMBL4067653 0.91 SSTR4 (0.41) SSTR4CYP2D6
SCHEMBL3579316 0.91 SSTR4 (0.41) SSTR4CYP2D6
SCHEMBL16274994 0.87 REN (0.40) SSTR4RENEPHX2
SCHEMBL4106508 0.85 REN (0.47) SSTR4RENEPHX2
SCHEMBL4099323 0.85 REN (0.47) SSTR4RENEPHX2
SCHEMBL3570815 0.83 RPS6KB1 (0.38) SSTR4CCR5
SCHEMBL3576110 0.83 CCR5 (0.38) SSTR4CCR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SSTR4 291/4885REN 6/4885ALOX5 1179/4885

“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.