SCHEMBL4118733

SCHEMBL4118733

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
HDAC3 O15379 1/20 0.40
ADAM17 P78536 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MCHR1 Q99705 6/20 0.37
KCNH2 Q12809 4/20 0.37
CYP1A2 P05177 1/20 0.36
MPI P34949 1/20 0.36
PHOSPHO1 Q8TCT1 1/20 0.36
FBP1 P09467 1/20 0.34
GSK3A P49840 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
SCHEMBL1410369 0.85 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4CES2
SCHEMBL6052596 0.80 MGLL (0.39) GRIA1GRIA2GRIA3GRIA4
SCHEMBL27652669 0.80 COMT (0.37) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5115617 0.79 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4HDAC1
SCHEMBL18003321 0.79 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5124497 0.78 LMNA (0.46) GRIA1GRIA2GRIA3GRIA4
SCHEMBL14395511 0.77 BCHE (0.39) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5126021 0.77 FAAH (0.39) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7016863 0.77 CYP2A6 (0.50) GRIA1GRIA2GRIA3GRIA4
SCHEMBL3095401 0.77 FAAH (0.39) GRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20080306055-A1 Heterocyclic Mchr1 Antagonists And Their Use In Therapy ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-20080300232-A1 N-Piperidine Derivatives as Ccr3 Modulators ASTRAZENECA AB (SE) 2008-12-04 US disclosed
EP-1940823-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP disclosed
CN-101124216-A Heterocyclic MCHr1 antagonists and their use in therapy ASTRAZENECA AB (SE) 2008-02-13 CN disclosed
EP-1831194-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-09-12 EP disclosed
US-20070185079-A1 Therapeutic agents I ASTRAZENECA AB (SE) 2007-08-09 US disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO disclosed
CN-1934099-A N-piperidine derivates as CCR3 modulators ASTRAZENECA AB (SE) 2007-03-21 CN disclosed
CN-1906169-A Therapeutic agents I ASTRAZENECA AB (SE) 2007-01-31 CN disclosed
EP-1730136-A1 N-PIPERIDINE DERIVATES AS CCR3 MODULATORS AstraZeneca AB (SE) 2006-12-13 EP disclosed
EP-1706384-A1 THERAPEUTIC AGENTS I AstraZeneca AB (SE) 2006-10-04 EP disclosed
WO-2006068594-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2005090330-A1 N-PIPERIDINE DERIVATES AS CCR3 MODULATORS ASTRAZENECA AB (SE) 2005-09-29 WO disclosed
WO-2005066132-A1 THERAPEUTIC AGENTS I ASTRAZENECA AB (SE) 2005-07-21 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 (4 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-20080306055-A1 Heterocyclic Mchr1 Antagonists And Their Use In Therapy MCHR1, MCHR2, MC1R GRIA1 169/4885GRIA2 183/4885GRIA3 245/4885
US-20080300232-A1 N-Piperidine Derivatives as Ccr3 Modulators CCR3, CCR1, CCR4 GRIA1 82/4885GRIA2 139/4885GRIA3 13/4885
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR GRIA1 350/4885GRIA2 418/4885GRIA3 813/4885
US-20070185079-A1 Therapeutic agents I HTT, GRIN2A, GRIN1 GRIA1 46/4885GRIA2 82/4885GRIA3 32/4885

“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.