SCHEMBL3985345

SCHEMBL3985345

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.37
DRD4 P21917 1/20 0.34
CLPP Q16740 3/20 0.34
PTGER4 P35408 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRM2 Q14416 2/20 0.33
FSCN1 Q16658 1/20 0.33
P2RX7 Q99572 5/20 0.33
FAAH O00519 2/20 0.33
MGLL Q99685 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MAPK14 Q16539 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3987185 0.90 SMN1; SMN2 (0.40) KCNH2GRM2FAAHMGLLMAPK14
SCHEMBL3991527 0.89 P2RX7 (0.36) P2RX7
SCHEMBL3987007 0.89 SCD (0.38) SCDDRD4PTGER4GRM2FSCN1
SCHEMBL3985667 0.89 SCD (0.39) SCDDRD4PTGER4GRM2FSCN1
SCHEMBL3983704 0.87 SCD (0.36) SCDDRD4PTGER4GRM2FSCN1
SCHEMBL3983623 0.85 SCD (0.38) SCDPTGER4FSCN1
SCHEMBL3985359 0.84 SCD (0.33) SCDDRD4PDE4APDE4BPDE4C
SCHEMBL3989255 0.83 MAOB (0.35) PTGER4FSCN1P2RX7
SCHEMBL4746270 0.83 SCD (0.40) SCDDRD4FSCN1P2RX7MAPK14
SCHEMBL3981450 0.81 SMN1; SMN2 (0.43) FAAHMGLLMAPK14

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-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
EP-1756114-A2 HIV INTEGRASE INHIBITORS Merck and Co., Inc. (US) 2007-02-28 EP disclosed
WO-2005110414-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-11-24 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP SCD 2672/4885DRD4 618/4885CLPP 2929/4885

“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.