SCHEMBL5033979

SCHEMBL5033979

CCN1CCCC1CNc1nc(N)nc(N(c2ccc(OC)c(Cl)c2)C2CN3CCC2CC3)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.40
DRD3 P35462 2/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
PTGS1 P23219 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL5033988 0.77 CHRM5 (0.32) MAPT
SCHEMBL6864893 0.75 KDM4E (0.35) DRD2
SCHEMBL6427795 0.75 DRD2 (0.36) DRD2MAPT
SCHEMBL6231594 0.75 KDM4E (0.35) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL4829526 0.74 DRD2 (0.42) DRD2MAPT
SCHEMBL14268378 0.74 DRD2 (0.42) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL5554473 0.74 DRD2 (0.42) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL6428071 0.73 DRD2 (0.35) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL6864393 0.73 DRD2 (0.41) DRD2DRD3ADRA2BADRA2CSLC6A4
SCHEMBL5554540 0.72 DRD2 (0.40) DRD2DRD3ADRA2BADRA2CSLC6A4

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-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 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 DRD2 4772/4885DRD3 4693/4885ADRA2B 3448/4885

“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.