SCHEMBL1419684

SCHEMBL1419684

Fc1ccc(NCc2ccccc2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.54
VNN1 O95497 3/20 0.54
PTPN1 P18031 2/20 0.50
PTPRZ1 P23471 1/20 0.50
SLC22A12 Q96S37 1/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
PABPC1 P11940 1/20 0.47
KMT2A Q03164 1/20 0.47
FFAR1 O14842 1/20 0.46
HTT P42858 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
KDR P35968 1/20 0.46
PTPN11 Q06124 1/20 0.45
GRM4 Q14833 1/20 0.45
PDGFRB P09619 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 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
SCHEMBL11936001 0.84 VNN1 (0.44) ARVNN1SLC22A12MEN1MAPT
SCHEMBL11513455 0.81 MEN1 (0.66) PTPN1PTPRZ1MEN1MAPTPABPC1
SCHEMBL827927 0.81 MAPT (0.57) MEN1MAPTKMT2AFFAR1
SCHEMBL26490959 0.79 MAPT (0.65) MEN1MAPTKMT2AHTTPLA2G1B
SCHEMBL4270413 0.77 CYP3A4 (0.69) PTPN1MEN1MAPTPABPC1KMT2A
SCHEMBL16040754 0.77 MEN1 (0.49) PTPN1PTPRZ1MEN1MAPTPABPC1
SCHEMBL13565908 0.77 SLC22A12 (0.48) ARVNN1SLC22A12
SCHEMBL19881758 0.76 SLC22A12 (0.49) ARSLC22A12KDRGRM4PDGFRB
SCHEMBL3269568 0.76 AR (0.50) ARSLC22A12GRM4
SCHEMBL11957897 0.76 AR (0.47) ARSLC22A12KDRGRM4

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 5 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
EP-2297112-A1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2011-03-23 EP disclosed
WO-2009137338-A1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-12 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-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists CCR1, CCR3, CCR4 AR 2632/4885VNN1 4421/4885PTPN1 964/4885

“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.