SCHEMBL6429666

SCHEMBL6429666

CCN1CCCC1CN(CC1CCCCC1)c1nc(N)nc(Oc2ccc(OC)c(F)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34
DRD2 P14416 7/20 0.34
GALR1 P47211 1/20 0.34
CA2 P00918 2/20 0.33
DRD1 P21728 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
CA9 Q16790 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
MAPT P10636 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA3 P07451 1/20 0.33
ADRA2A P08913 1/20 0.33
PTGS1 P23219 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL5550419 0.93 MAPT (0.33) PIK3CDDRD2CA2DRD1DRD4
SCHEMBL6231144 0.88 SIGMAR1 (0.31) DRD2ALDH1A1
SCHEMBL5549889 0.82 GALR1 (0.45) GALR1CYP2D6MAPTCYP2C19ALDH1A1
SCHEMBL6612950 0.79 DRD2 (0.33) DRD2CA2DRD1DRD4DRD3
SCHEMBL5553491 0.78 GALR1 (0.46) DRD2GALR1
SCHEMBL6231327 0.77 DRD2 (0.35) DRD2CA2DRD1DRD4DRD3
SCHEMBL6233417 0.76 GALR1 (0.38) GALR1CYP2D6MAPTCYP2C19ALDH1A1
SCHEMBL6233437 0.76 GALR1 (0.46) DRD2GALR1
SCHEMBL5035813 0.76 GALR1 (0.47) DRD2GALR1CA2DRD1DRD4
SCHEMBL6429669 0.75 MEN1 (0.34) GALR1

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 PIK3CD 1898/4885DRD2 4763/4885GALR1 1159/4885

“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.