SCHEMBL6429771

SCHEMBL6429771

CCN1CCCC1CN(c1ccc(OC(F)(F)F)c(F)c1)c1nc(N)nc(NCC2CCCCC2)n1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.33
ADRA2A P08913 9/20 0.33
NPY5R Q15761 8/20 0.33
VNN1 O95497 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 1/20 0.32
HTR2C P28335 1/20 0.32
GALR1 P47211 1/20 0.32
DRD2 P14416 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 1/20 0.30
TPH1 P17752 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
SCHEMBL6607362 0.92 GALR1 (0.39) ADRA2AGALR1DRD2LMNA
SCHEMBL5554025 0.91 GALR1 (0.38) ADRA2AGALR1DRD2LMNA
SCHEMBL6427953 0.89 KDM4E (0.33) ADRA2AVNN1GALR1DRD2KDM4E
SCHEMBL5553593 0.89 DRD2 (0.38) ADRA2AGALR1DRD2LMNA
SCHEMBL6428219 0.87 GALR1 (0.32) ADRA2AGALR1DRD2KDM4EALDH1A1
SCHEMBL6864393 0.86 DRD2 (0.41) ADRA2AGALR1DRD2LMNA
SCHEMBL5553510 0.85 DRD2 (0.36) ADRA2ADRD2LMNA
SCHEMBL5553494 0.85 DRD2 (0.36) ADRA2AGALR1DRD2LMNA
SCHEMBL6231918 0.84 DRD2 (0.39) ADRA2AKMT2ADRD2LMNA
SCHEMBL6429673 0.83 DRD2 (0.36) ADRA2ADRD2LMNA

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 MCHR1 3271/4885ADRA2A 3445/4885NPY5R 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.