SCHEMBL2681027

SCHEMBL2681027

Cn1cnc(-c2ccc([C@H]3C[C@@H]3C(=O)O)cc2)c1I

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.53
PDE4D Q08499 2/20 0.46
CNR1 P21554 1/20 0.46
ACHE P22303 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
KCNH2 Q12809 1/20 0.46
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 5/20 0.41

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
SCHEMBL2680645 0.85 FAAH (0.54) FAAHPDE4DCNR1ACHEPDE4A
SCHEMBL5529188 0.83 FAAH (0.48) FAAHPDE4DCNR1ACHEPDE4A
SCHEMBL2682323 0.82 FAAH (0.49) FAAHPDE4DCNR1ACHEPDE4A
SCHEMBL2680718 0.79 FAAH (0.85) FAAHPDE4DCNR1ACHEPDE4A
SCHEMBL1724861 0.79 FAAH (0.46) FAAHFFAR1FFAR4
SCHEMBL2682562 0.79 FAAH (0.46) FAAHFFAR1FFAR4
SCHEMBL2681410 0.75 FAAH (0.85) FAAHPDE4DCNR1ACHEPDE4A
SCHEMBL1728639 0.75 FAAH (0.85) FAAHPDE4DCNR1ACHEPDE4A
SCHEMBL3803873 0.74 FFAR4 (0.49) FAAHPDE4DPDE4APDE4BPDE4C
SCHEMBL3803876 0.74 FFAR4 (0.49) FAAHPDE4DPDE4APDE4BPDE4C

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 1/4885PDE4D 393/4885CNR1 17/4885
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS FAAH, FAAH2, CNR2 FAAH 1/4885PDE4D 463/4885CNR1 14/4885

“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.