SCHEMBL14472452

SCHEMBL14472452

CCN1CCCC1CNc1nc(NCC2CCCCC2)nc(Nc2ccc(OC)c(CI)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.45
DRD2 P14416 10/20 0.45
CYP2D6 P10635 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL14472520 0.91 GALR1 (0.39) GALR1DRD2CYP2D6DRD4DRD3
SCHEMBL14421445 0.91 DRD2 (0.44) DRD2CYP2D6DRD4DRD3
SCHEMBL14639628 0.90 DRD2 (0.45) DRD2CYP2D6DRD4DRD3
SCHEMBL5036362 0.89 GALR1 (0.59) GALR1DRD2
SCHEMBL4829406 0.89 GALR1 (0.59) GALR1DRD2
SCHEMBL4832076 0.89 GALR1 (0.59) GALR1DRD2
SCHEMBL4832720 0.89 GALR1 (0.59) GALR1DRD2
SCHEMBL4836867 0.89 GALR1 (0.46) GALR1DRD2
SCHEMBL4831978 0.89 GALR1 (0.46) GALR1DRD2CYP2D6DRD4DRD3
SCHEMBL14472443 0.88 RAB9A (0.38) GALR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 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-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS GALR1 961/4885DRD2 4772/4885CYP2D6 4839/4885

“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.