SCHEMBL4101569

SCHEMBL4101569

C[C@@H](NC[C@@H]1CN(C(=O)C(F)(F)F)C[C@H]1c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASR P41180 17/20 0.47
HDAC3 O15379 1/20 0.42
CYP2C9 P11712 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RORC P51449 1/20 0.42
CCR5 P51681 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
SCHEMBL4107034 1.00 CASR (0.47) CASRHDAC3CYP2C9HDAC1HDAC6
SCHEMBL4093845 1.00 CASR (0.47) CASRHDAC3CYP2C9HDAC1HDAC6
SCHEMBL4113195 1.00 CASR (0.47) CASRHDAC3CYP2C9HDAC1HDAC6
Hydrochloric Acid SCHEMBL4100915 0.99 CASR (0.46) CASR
Hydrochloric Acid SCHEMBL4101011 0.99 CASR (0.46) CASR
Hydrochloric Acid SCHEMBL4101425 0.99 CASR (0.46) CASR
SCHEMBL1095794 0.92 CASR (0.45) CASR
SCHEMBL1095736 0.92 CASR (0.45) CASR
SCHEMBL4106657 0.91 CASR (0.46) CASRHDAC3CYP2C9HDAC1HDAC6
Hydrochloric Acid SCHEMBL1096824 0.91 CASR (0.45) CASR

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 1/4885HDAC3 2335/4885CYP2C9 437/4885

“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.