SCHEMBL5115617

SCHEMBL5115617

O=Cc1ccn(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
EPHX2 P34913 2/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SCN5A Q14524 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 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
SCHEMBL1229201 0.85 SCN5A (0.44) EPHX2SCN5AFAAHMCHR1
SCHEMBL4118733 0.79 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4CYP1A2
SCHEMBL5116483 0.79 ALDH1A1 (0.55) POLBMAPTKMT2AMEN1CYP1A2
SCHEMBL6052596 0.76 MGLL (0.39) GRIA1GRIA2GRIA3GRIA4POLB
SCHEMBL18003313 0.76 MGLL (0.47) KMT2AKDM4ELMNA
SCHEMBL1228664 0.76 POLB (0.38) POLBL3MBTL1EPHX2MAPTSCN5A
SCHEMBL97114 0.75 ALDH1A1 (0.52) PIM1PIM2EPHX2MAPTKMT2A
SCHEMBL5124497 0.74 LMNA (0.46) GRIA1GRIA2GRIA3GRIA4MAPT
Hydrochloric Acid SCHEMBL3539828 0.74 ALDH1A1 (0.50) PIM1PIM2EPHX2MAPTKMT2A
SCHEMBL1230313 0.74 MAOA (0.43) L3MBTL1MAPTCYP1A2SCN5AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300232-A1 N-Piperidine Derivatives as Ccr3 Modulators ASTRAZENECA AB (SE) 2008-12-04 US disclosed
CN-1934099-A N-piperidine derivates as CCR3 modulators ASTRAZENECA AB (SE) 2007-03-21 CN disclosed
EP-1730136-A1 N-PIPERIDINE DERIVATES AS CCR3 MODULATORS AstraZeneca AB (SE) 2006-12-13 EP disclosed
WO-2005090330-A1 N-PIPERIDINE DERIVATES AS CCR3 MODULATORS ASTRAZENECA AB (SE) 2005-09-29 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-20080300232-A1 N-Piperidine Derivatives as Ccr3 Modulators CCR3, CCR1, CCR4 GRIA1 82/4885GRIA2 139/4885GRIA3 13/4885

“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.