SCHEMBL5529188

SCHEMBL5529188

CCOC(=O)[C@H]1C[C@@H]1c1ccc(-c2ncn(C)c2I)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.48
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL5533033 0.86 FAAH (0.47) FAAHCNR1ACHEPDE4APDE4B
SCHEMBL2681027 0.83 FAAH (0.53) FAAHCNR1ACHEPDE4APDE4B
SCHEMBL5535100 0.82 FAAH (0.42) FAAH
SCHEMBL2680645 0.80 FAAH (0.54) FAAHCNR1ACHEPDE4APDE4B
SCHEMBL20572276 0.76 MAPT (0.46)
SCHEMBL20572278 0.76 MAPT (0.46)
SCHEMBL19182180 0.74 MAPT (0.53)
SCHEMBL2681954 0.74 MAPT (0.40)
SCHEMBL15977387 0.73 ALDH1A1 (0.55)
SCHEMBL15235893 0.73 ALDH1A1 (0.55)

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-2403338-B1 IMIDAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH AND AS FAAH IMAGING AGENTS MERCK SHARP & DOHME (US) 2017-07-26 EP disclosed
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS MERCK SHARP & DOHME CORP. 2013-01-31 US disclosed
US-20120115894-A1 IMIDAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH AND AS FAAH IMAGING AGENTS MERCK SHARP & DOHME CORP. (US) 2012-05-10 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 (2 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-20120115894-A1 IMIDAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH AND AS FAAH IMAGING AGENTS FAAH, FAAH2, INMT FAAH 1/4885CNR1 17/4885ACHE 64/4885
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS FAAH, FAAH2, CNR2 FAAH 1/4885CNR1 14/4885ACHE 100/4885

“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.