SCHEMBL13627438

SCHEMBL13627438

O=C([C@H]1CCCN(c2cc(C(F)(F)F)ccn2)C1)N1CC[C@H](NC2CC=C(c3ccc(-c4ncccn4)cn3)CC2)C1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.60
KCNH2 Q12809 7/20 0.60
SYK P43405 3/20 0.45
EIF2AK4 Q9P2K8 1/20 0.39
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL13627174 1.00 CCR2 (0.60) CCR2KCNH2SYKEIF2AK4ITGB2
SCHEMBL13627175 0.94 CCR2 (0.61) CCR2KCNH2SYK
SCHEMBL13627090 0.92 CCR2 (0.68) CCR2KCNH2SYK
SCHEMBL13627268 0.87 CCR2 (0.53) CCR2KCNH2SYKKDM4ELMNA
SCHEMBL13627012 0.86 CCR2 (0.66) CCR2KCNH2
SCHEMBL13627070 0.86 CCR2 (0.61) CCR2KCNH2
SCHEMBL13627266 0.84 CCR2 (0.57) CCR2KCNH2SYK
SCHEMBL13627071 0.84 CCR2 (0.68) CCR2KCNH2USP2LMNATSHR
SCHEMBL13627093 0.84 CCR2 (0.57) CCR2KCNH2SYK
SCHEMBL13627018 0.84 CCR2 (0.57) CCR2KCNH2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286792-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS XUE CHU-BIAO 2009-11-19 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 (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-20090286792-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 CCR2 1/4885KCNH2 2769/4885SYK 609/4885

“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.