SCHEMBL2681072

SCHEMBL2681072

CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(-c2ncn(C)c2Sc2ccc(Cl)cn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 18/20 1.00
CNR1 P21554 1/20 0.79
ACHE P22303 1/20 0.79
PDE4A P27815 1/20 0.79
PDE4B Q07343 1/20 0.79
PDE4C Q08493 1/20 0.79
PDE4D Q08499 1/20 0.79
KCNH2 Q12809 1/20 0.79
SLC6A3 Q01959 2/20 0.34

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
SCHEMBL5569778 0.90 FAAH (0.82) FAAHCNR1ACHEPDE4APDE4B
Mk-3168 SCHEMBL2681300 0.89 FAAH (1.00) FAAHCNR1ACHEPDE4APDE4B
Mk-3168 C-11 SCHEMBL30531781 0.89 FAAH (1.00) FAAHCNR1ACHEPDE4APDE4B
Mk-3168 SCHEMBL6954837 0.89 FAAH (1.00) FAAHCNR1ACHEPDE4APDE4B
Mk-3168 SCHEMBL5534755 0.89 FAAH (1.00) FAAHCNR1ACHEPDE4APDE4B
Mk-3168 SCHEMBL5529333 0.89 FAAH (1.00) FAAHCNR1ACHEPDE4APDE4B
Mk-3168 SCHEMBL2681510 0.89 FAAH (1.00) FAAHCNR1ACHEPDE4APDE4B
Mk-3168 SCHEMBL19159931 0.89 FAAH (1.00) FAAHCNR1ACHEPDE4APDE4B
SCHEMBL6954996 0.87 FAAH (0.77) FAAHCNR1ACHEPDE4APDE4B
Mk-3168 SCHEMBL5531395 0.85 FAAH (0.90) FAAHCNR1ACHEPDE4APDE4B

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 9 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-8664253-B2 Imidazole derivatives useful as modulators of FAAH and as FAAH imaging agents MERCK SHARP & DOHME CORP (US) 2014-03-04 US disclosed
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS MERCK SHARP & DOHME CORP. 2013-01-31 US disclosed
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS MERCK SHARP & DOHME CORP. 2013-01-31 US 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
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
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
WO-2010101724-A1 IMIDAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH AND AS FAAH IMAGING AGENTS MERCK SHARP & DOHME CORP. (US) 2010-09-10 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 (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.