SCHEMBL5116981

SCHEMBL5116981

O=Cc1ccn(-c2ccc(C(F)(F)F)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
TRPV4 Q9HBA0 1/20 0.39
DHFR P00374 1/20 0.36
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 2/20 0.32
OPRL1 P41146 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PTGS2 P35354 4/20 0.32
LCAT P04180 1/20 0.31
PTGS1 P23219 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL4118733 0.76 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4HDAC11
SCHEMBL5124497 0.75 LMNA (0.46) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL29417132 0.73 TRPV4 (0.52) TRPV4ALDH1A1KDM4E
SCHEMBL336320 0.73 TRPV4 (0.52) TRPV4ALDH1A1KDM4E
SCHEMBL1410369 0.72 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL6052596 0.71 MGLL (0.39) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL16043755 0.71 KCNJ1 (0.39) TRPV4DHFRCYP3A4OPRL1HDAC11
SCHEMBL4922867 0.71 GRIA1 (0.44) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL5115617 0.70 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL23884749 0.69 ALDH1A1 (0.38) ALDH1A1KDM4EMAPK1

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
US-20080300232-A1 N-Piperidine Derivatives as Ccr3 Modulators ASTRAZENECA AB (SE) 2008-12-04 US claimed
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.