SCHEMBL13600047

SCHEMBL13600047

CB(O)N1CCC(Oc2c(F)cc(Nc3ncccc3N)cc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 3/20 0.37
▸ DHODH Q02127 2/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ GRM4 Q14833 5/20 0.34
▸ EGFR P00533 2/20 0.33
▸ MALT1 Q9UDY8 1/20 0.33
▸ PIK3CA P42336 3/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ PDE10A Q9Y233 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
SCHEMBL13600008 0.85 CA12 (0.42) SCDCA12CA1CA2CA9
SCHEMBL13600045 0.84 GABRP (0.43) SCDDHODH
SCHEMBL13600054 0.82 SCD (0.38) SCDDHODH
SCHEMBL13600046 0.81 GPR6 (0.42) SCDGRM4
SCHEMBL13600174 0.81 NAMPT (0.40) CA12CA1CA2CA9EGFR
SCHEMBL13607283 0.81 GPR119 (0.46) SCD
SCHEMBL13600044 0.78 FPR2 (0.34) —
SCHEMBL13600033 0.69 CYP11B2 (0.39) EGFR
SCHEMBL13600058 0.69 GPR6 (0.43) GRM4EGFR
SCHEMBL13600004 0.69 MAPT (0.49) SCD

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-7638531-B2 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
US-20070167435-A1 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-07-19 — — 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-20070167435-A1 Phenoxypiperidines and analogs thereof useful as histamine H3 antagonists HRH4, HRH3, HRH2 SCD 1995/4885DHODH 1223/4885BACE1 2551/4885

“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.

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