SCHEMBL8514488

SCHEMBL8514488

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(NC(=O)c3ccnc(Cl)c3O)cs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
CRHR1 P34998 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SPR P35270 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL1229039 0.89 CCR1 (0.44) CCR1GAAALDH1A1KMT2ACYP1A2
SCHEMBL8513024 0.88 CCR1 (0.42) CCR1GAAALDH1A1KMT2ACRHR1
SCHEMBL1229035 0.87 GAA (0.41) CCR1GAAALDH1A1CYP1A2CYP3A4
SCHEMBL1227001 0.87 GAA (0.42) CCR1GAAALDH1A1KMT2ACYP1A2
SCHEMBL1228455 0.86 GAA (0.41) CCR1GAAALDH1A1KMT2ACYP1A2
SCHEMBL1227013 0.85 CCR1 (0.46) CCR1GAAALDH1A1TP53L3MBTL1
SCHEMBL1229148 0.84 GAA (0.48) CCR1GAAALDH1A1KMT2ACYP1A2
SCHEMBL1227053 0.84 GAA (0.44) CCR1GAAALDH1A1KMT2ACYP1A2
SCHEMBL1228543 0.83 CCR1 (0.48) CCR1GAAALDH1A1KMT2ATP53
SCHEMBL15648104 0.83 CCR1 (0.43) CCR1GAAALDH1A1KMT2AIRAK4

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-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
EP-2643312-A1 MICROBICIDAL HETEROCYCLES Syngenta Participations AG (CH) 2013-10-02 EP disclosed
CN-103228645-A Microbicidal heterocycles SYNGENTA PARTICIPATIONS AG 2013-07-31 CN 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 (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-20130324544-A1 MICROBICIDAL HETEROCYCLES CYP1A1, CYP1B1, CYP51A1 CCR1 249/4885GAA 684/4885ALDH1A1 189/4885

“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.