SCHEMBL4106558

SCHEMBL4106558

C[C@@H](NC[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2)C[C@@H]1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.49
CYP2D6 P10635 2/20 0.45
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA9 Q16790 6/20 0.44
CA12 O43570 4/20 0.44
CA7 P43166 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CCR5 P51681 1/20 0.41
CA4 P22748 2/20 0.41
TLR2 O60603 1/20 0.41

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
SCHEMBL4106554 1.00 CASR (0.49) CASRCYP2D6CA1CA2CA9
Hydrochloric Acid SCHEMBL4106570 0.88 CASR (0.54) CASRCYP2D6CCR5
SCHEMBL4094857 0.87 CASR (0.51) CASRCYP2D6CCR5TLR2
SCHEMBL4094852 0.87 CASR (0.51) CASRCYP2D6CCR5TLR2
SCHEMBL4789570 0.86 CASR (0.46) CASRCYP2D6CA1CA2CA9
SCHEMBL4789572 0.86 CA1 (0.43) CASRCYP2D6CA1CA2CA9
SCHEMBL4110149 0.85 CASR (0.46) CASRCYP2D6CCR5TLR2
SCHEMBL4110156 0.85 CASR (0.46) CASRCYP2D6CCR5TLR2
SCHEMBL4101477 0.85 CASR (0.53) CASRCYP2D6CCR5
SCHEMBL4104683 0.84 CASR (0.50) CASRCYP2D6CCR5

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 CASR 1/4885CYP2D6 341/4885CA1 2553/4885

“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.