SCHEMBL4630809

SCHEMBL4630809

CN(c1cc(F)c(F)cc1O)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL20355507 0.74 JAK3 (0.33) IRAK4
SCHEMBL4630787 0.70 HPGD (0.35)
SCHEMBL29157521 0.69 DDB1 (0.55) DRD1
SCHEMBL5479824 0.68 DDB1 (0.40)
SCHEMBL28111070 0.68 DDB1 (0.31)
SCHEMBL2217683 0.65 SLC6A4 (0.39)
SCHEMBL1240861 0.64 EPHX2 (0.39)
SCHEMBL739596 0.64 PSEN1 (0.41)
SCHEMBL1242072 0.63 DDB1 (0.52)
SCHEMBL1717738 0.63 DDB1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470103-B1 AMIDOACETONITRILE DERIVATIVES NOVARTIS AG (CH) 2008-05-14 EP disclosed
US-7153814-B2 Amidoacetonitrile derivatives NOVARTIS ANIMAL HEALTH US, INC. (US) 2006-12-26 US disclosed
US-20050059736-A1 Amidoacetonitrile derivatives NOVARTIS ANIMAL HEALTH US, INC. 2005-03-17 US disclosed
EP-1470103-A1 AMIDOACETONITRILE DERIVATIVES Novartis AG (CH) 2004-10-27 EP disclosed
WO-2003059868-A1 AMIDOACETONITRILE DERIVATIVES NOVARTIS AG (CH) 2003-07-24 WO 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-20050059736-A1 Amidoacetonitrile derivatives ARG1, NAT1, NMBR DRD2 1486/4885DRD1 857/4885DRD5 2511/4885

“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.