SCHEMBL8513972

SCHEMBL8513972

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nc(C(N)=O)cs2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.52
GAA P10253 2/20 0.46
SCD O00767 1/20 0.42
OGA O60502 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CXCR3 P49682 3/20 0.41
LMNA P02545 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 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
SCHEMBL1758544 0.91 CCR1 (0.53) CCR1GAAOGAKDM4ECXCR3
SCHEMBL8513975 0.88 CCR1 (0.54) CCR1GAAKDM4ECXCR3LMNA
SCHEMBL25757907 0.88 CCR1 (0.50) CCR1GAAKDM4ECXCR3LMNA
SCHEMBL2579871 0.88 CCR1 (0.52) CCR1GAAOGAKDM4ECXCR3
SCHEMBL25757726 0.84 CCR1 (0.51) CCR1GAAKDM4ECXCR3LMNA
SCHEMBL1758546 0.84 CCR1 (0.54) CCR1GAAKDM4ECXCR3LMNA
SCHEMBL1758419 0.83 GAA (0.49) CCR1GAASCDKDM4ECXCR3
SCHEMBL8512452 0.83 GAA (0.49) CCR1GAAKDM4ELMNATP53
SCHEMBL27863436 0.83 CCR1 (0.53) CCR1GAAKDM4ECXCR3LMNA
SCHEMBL28799628 0.82 CCR1 (0.50) CCR1GAAKDM4ECXCR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643312-B1 MICROBICIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2014-09-10 EP disclosed
US-8748431-B2 Microbicidal heterocycles SYNGENTA PARTICIPATIONS AG (CH) 2014-06-10 US disclosed
US-20130324544-A1 MICROBICIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2013-12-05 US disclosed
US-8557821-B2 Microbiocidal heterocycles SYNGENTA CROP PROTECTION, LLC (US) 2013-10-15 US disclosed
EP-2643312-A1 MICROBICIDAL HETEROCYCLES Syngenta Participations AG (CH) 2013-10-02 EP disclosed
US-20120142700-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA CROP PROTECTION, LLC (US) 2012-06-07 US disclosed
WO-2012069633-A1 MICROBICIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 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 (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-20130324544-A1 MICROBICIDAL HETEROCYCLES CYP1A1, CYP1B1, CYP51A1 CCR1 249/4885GAA 684/4885SCD 2681/4885
US-20120142700-A1 MICROBIOCIDAL HETEROCYCLES MPO, CYP51A1, CYP1A1 CCR1 487/4885GAA 560/4885SCD 3371/4885

“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.