SCHEMBL4398460

SCHEMBL4398460

NCC1O[C@H](c2ccccc2)O[C@H]1CO

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 5/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
MAPT P10636 1/20 0.36
HTR2C P28335 8/20 0.36
HTR2B P41595 7/20 0.36
HTR2A P28223 5/20 0.36
MAOB P27338 2/20 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
SCHEMBL4398458 1.00 SLC5A2 (0.40) SLC5A2SLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL10590087 0.90 SLC5A2 (0.45) SLC5A2CYP2C19CYP3A4CYP2D6MAPT
SCHEMBL2384795 0.90 SLC5A2 (0.45) SLC5A2CYP2C19CYP3A4CYP2D6MAPT
SCHEMBL22577266 0.90 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP2C19HTR2C
SCHEMBL13590060 0.90 SLC5A2 (0.45) SLC5A2CYP2C19CYP3A4CYP2D6MAPT
SCHEMBL31135220 0.81 SLC5A2 (0.41) SLC5A2CYP2C19CYP3A4CYP2D6MAPT
SCHEMBL4633309 0.81 SLC5A2 (0.53) SLC5A2CYP2C19CYP3A4CYP2D6MAPT
SCHEMBL3204458 0.81 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP2C19CYP3A4
SCHEMBL7155412 0.81 SLC5A2 (0.53) SLC5A2CYP2C19CYP3A4CYP2D6MAPT
SCHEMBL7154382 0.81 SLC5A2 (0.41) SLC5A2CYP2C19CYP3A4CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549651-B1 PYRIMIDOPYRIMIDONES AS KINASE INHIBITORS WARNER LAMBERT CO (US) 2009-12-23 EP disclosed
US-7196090-B2 Kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-03-27 US disclosed
WO-2006038112-A1 USE OF KINASE INHIBITORS TO PROMOTE NEOCHONDROGENESIS WARNER-LAMBERT COMPANY LLC (US) 2006-04-13 WO disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 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-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 SLC5A2 3660/4885SLC6A2 4680/4885SLC6A4 4773/4885

“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.