SCHEMBL5348577

SCHEMBL5348577

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCN1CCN1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.51
FPR3 P25089 1/20 0.47
FPR2 P25090 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
F2 P00734 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6131130 0.98 CCR2 (0.51) CCR2FPR3FPR2F2
SCHEMBL6131114 0.94 CCR2 (0.52) CCR2FPR3FPR2
SCHEMBL15844281 0.82 CCR2 (0.47) CCR2
SCHEMBL15844423 0.82 CCR2 (0.47) CCR2
SCHEMBL15844280 0.82 CCR2 (0.47) CCR2
SCHEMBL17048591 0.75 TACR1 (0.49) CCR2HRH3F2ALDH1A1
SCHEMBL5241932 0.73 CCR2 (0.44) CCR2FPR3FPR2
SCHEMBL8095243 0.72 ERCC1 (0.55) CCR2ALDH1A1
SCHEMBL17342646 0.72 USP2 (0.56) CCR2ALDH1A1
SCHEMBL5275905 0.71 CCR2 (0.59) CCR2ALDH1A1

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-1558253-A4 PIPERIDINYL-ALPHA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2007-07-25 EP disclosed
US-20050250814-A1 Piperidinyl-alpha-aminoamide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2005-11-10 US disclosed
EP-1558253-A2 PIPERIDINYL-ALPHA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2005-08-03 EP disclosed
WO-2004042351-A2 PIPERIDINYL-ALPHA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2004-05-21 WO 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-20050250814-A1 Piperidinyl-alpha-aminoamide modulators of chemokine receptor activity CCR2, CCR1, CCRL2 CCR2 1/4885FPR3 69/4885FPR2 34/4885

“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.