SCHEMBL3985359

SCHEMBL3985359

CN1CCn2c(c(OCc3ccccc3)c3c(=O)n(Cc4ccc(F)c(Cl)c4)nc(C4=NC(=O)NNC4)c32)C1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.33
DRD4 P21917 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL3982407 0.86
SCHEMBL3985345 0.84 SCD (0.37) SCDDRD4PDE4APDE4BPDE4C
SCHEMBL3985667 0.82 SCD (0.39) SCDDRD4
SCHEMBL3983704 0.81 SCD (0.36) SCDDRD4
SCHEMBL3987007 0.81 SCD (0.38) SCDDRD4
SCHEMBL3983623 0.78 SCD (0.38) SCD
SCHEMBL4746270 0.76 SCD (0.40) SCDDRD4
SCHEMBL3985775 0.75 ADORA1 (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL3981450 0.75 SMN1; SMN2 (0.43)
SCHEMBL3982263 0.74 SMN1; SMN2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP SCD 2672/4885DRD4 618/4885PDE4A 447/4885

“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.