SCHEMBL6429776

SCHEMBL6429776

CCC(C1CCCN1)N(c1ccc(OC(F)(F)F)c(F)c1)c1nc(N)nc(NCC2CCCCC2)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.33
MCHR1 Q99705 3/20 0.33
NPY5R Q15761 2/20 0.33
PDE2A O00408 4/20 0.32
KCNN4 O15554 1/20 0.32
PTGS2 P35354 1/20 0.32
GALR1 P47211 1/20 0.32
TPH1 P17752 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL6607370 0.92 GALR1 (0.39) GALR1TPH1ADORA2AADORA1
SCHEMBL5554034 0.91 GALR1 (0.38) GALR1TPH1ADORA2AADORA1
SCHEMBL6427958 0.89 GALR1 (0.33) GALR1TPH1ADORA2AADORA1
SCHEMBL6428528 0.89 GALR1 (0.35) GALR1
SCHEMBL6428224 0.87 CCNK (0.33) GALR1ADORA2AADORA1
SCHEMBL5553495 0.85 MAPK1 (0.34) GALR1
SCHEMBL5553512 0.85 MAPK1 (0.39) PTGS2GALR1
SCHEMBL6231925 0.84 TLR7 (0.34) GALR1TPH1
SCHEMBL6429682 0.83 MAPK1 (0.32) GALR1
SCHEMBL5553561 0.82 SMN1; SMN2 (0.37) ADRA2AMCHR1NPY5RPTGS2GALR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 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-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 ADRA2A 3445/4885MCHR1 3271/4885NPY5R 664/4885

“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.