SCHEMBL4101872

SCHEMBL4101872

C[C@H](c1cccc2ccccc12)N(C[C@H]1CN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C[C@@H]1c1ccccc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 10/20 0.37
CYP2D6 P10635 2/20 0.36
TLR2 O60603 3/20 0.35
RORC P51449 2/20 0.35
CASR P41180 1/20 0.34
MGLL Q99685 2/20 0.33

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
SCHEMBL4486894 0.85 CASR (0.46) CCR5CYP2D6TLR2CASR
SCHEMBL4104571 0.85 CCR5 (0.38) CCR5CYP2D6TLR2RORCCASR
SCHEMBL4486890 0.85 CASR (0.46) CCR5CYP2D6TLR2CASR
Hydrochloric Acid SCHEMBL4094895 0.85 CASR (0.46) CCR5CYP2D6CASR
Hydrochloric Acid SCHEMBL4094900 0.85 CASR (0.46) CCR5CYP2D6CASR
SCHEMBL4106204 0.84 CCR5 (0.44) CCR5CYP2D6TLR2CASR
SCHEMBL4101874 0.81 CYP2D6 (0.38) CCR5CYP2D6TLR2RORCCASR
SCHEMBL4093980 0.81 CCR5 (0.41) CCR5CYP2D6TLR2RORC
SCHEMBL4100239 0.81 CCR5 (0.41) CCR5CYP2D6TLR2CASR
SCHEMBL4108723 0.80 CA1 (0.43) CCR5CYP2D6CASR

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 CCR5 1050/4885CYP2D6 341/4885TLR2 1663/4885

“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.