SCHEMBL744833

SCHEMBL744833

CC(C)c1ncc(C2(O)CCC(N3CC[C@@H](N(C(=O)O)C(C)(C)C)C3)CC2)s1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.47
KCNH2 Q12809 5/20 0.45
CCRL2 O00421 3/20 0.45
MCHR1 Q99705 8/20 0.36
CYP2D6 P10635 1/20 0.31

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
SCHEMBL742673 0.80 CCR2 (0.52) CCR2KCNH2CCRL2
SCHEMBL744110 0.78 CCR2 (0.46) CCR2KCNH2CCRL2
SCHEMBL12401054 0.78 CCR2 (0.46) CCR2KCNH2CCRL2
Hydrochloric Acid SCHEMBL744124 0.77 CCR2 (0.45) CCR2KCNH2CCRL2
SCHEMBL764091 0.77 CCR2 (0.50) CCR2KCNH2CCRL2
SCHEMBL12465534 0.76 CCR2 (0.47) CCR2KCNH2CCRL2
SCHEMBL3743092 0.75 CCR2 (0.47) CCR2KCNH2MCHR1
SCHEMBL744360 0.75 CCR2 (0.47) CCR2KCNH2MCHR1
SCHEMBL3743089 0.75 CCR2 (0.47) CCR2KCNH2MCHR1
SCHEMBL1307534 0.72 CCR5 (0.35) KCNH2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565436-B1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2012-04-25 EP disclosed
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP disclosed
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2011-10-13 US disclosed
US-7985730-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2011-07-26 US disclosed
US-7834021-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-11-16 US disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 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 (2 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-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 CCR2 1/4885KCNH2 2930/4885CCRL2 20/4885
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 CCR2 1/4885KCNH2 2991/4885CCRL2 20/4885

“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.