SCHEMBL2397685

SCHEMBL2397685

C=C[C@H](N)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.36
AR P10275 5/20 0.35
PDE2A O00408 1/20 0.33
EPHX1 P07099 1/20 0.33
SLC6A4 P31645 1/20 0.33
SCN8A Q9UQD0 1/20 0.32
NR3C2 P08235 1/20 0.32
KIF11 P52732 1/20 0.32
AKT1 P31749 2/20 0.31
SLC22A12 Q96S37 1/20 0.31
RPS6KB1 P23443 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2338758 0.83 EPHX1 (0.36) MPLAREPHX1SLC6A4SCN8A
Hydrochloric Acid SCHEMBL2349140 0.81 EPHX1 (0.35) MPLAREPHX1SLC6A4SCN8A
SCHEMBL31436743 0.80 CES2 (0.38) PDE2A
SCHEMBL4228847 0.77 PDE2A (0.43) MPLARPDE2AEPHX1SLC6A4
SCHEMBL296445 0.77 PDE2A (0.43) MPLARPDE2AEPHX1SLC6A4
SCHEMBL12494095 0.77 MPL (0.38) MPLARPDE2AEPHX1SLC6A4
SCHEMBL5019023 0.77 PDE2A (0.43) MPLARPDE2AEPHX1SLC6A4
SCHEMBL2399327 0.77 PDE2A (0.43) MPLARPDE2AEPHX1SLC6A4
Hydrochloric Acid SCHEMBL26615659 0.75 PDE2A (0.42) MPLARPDE2AEPHX1SLC6A4
Hydrochloric Acid SCHEMBL3701319 0.75 PDE2A (0.42) MPLARPDE2AEPHX1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297112-B1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-04-03 EP disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 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-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists CCR1, CCR3, CCR4 MPL 1653/4885AR 2632/4885PDE2A 1593/4885

“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.