SCHEMBL6410089

SCHEMBL6410089

C=CCNC(=O)C(=O)OCCCCC

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
TSHR P16473 3/20 0.50
ACHE P22303 12/20 0.46
HPGD P15428 1/20 0.44
EPHX1 P07099 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
NAAA Q02083 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
SCHEMBL29939 0.83 ACHE (0.58) FAAHACHEEPHX1
SCHEMBL20839538 0.81 ACHE (0.61) FAAHTSHRACHEEPHX1
SCHEMBL11338236 0.81 ACHE (0.61) FAAHTSHRACHEEPHX1
SCHEMBL9866335 0.80 EGLN1 (0.55) FAAHTSHR
SCHEMBL1486852 0.77 ACHE (0.55) FAAHTSHRACHEHPGDEPHX1
SCHEMBL29835 0.76 FAAH (0.46) FAAHTSHRACHEHPGDEPHX1
SCHEMBL10889007 0.75 TSHR (0.49) FAAHTSHRACHEHPGDEPHX1
SCHEMBL6449183 0.75 TSHR (0.58) FAAHTSHRHPGDEPHX1NAAA
SCHEMBL8390789 0.75 FAAH (0.49) FAAHTSHRACHEEPHX1NAAA
SCHEMBL1723694 0.74 MAPT (0.42) FAAHTSHRHPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050096331-A1 Novel compounds and their use in medicine process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES INC. 2005-05-05 US claimed
US-20020077320-A1 Novel tricyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION AND REDDY- CHEMINOR, INC. 2002-06-20 US claimed
US-6043255-A ADMINISTERING TO A PATIENT SUFFERING FROM COGNITIVE DISORDER IN NEURODEGENERATIVE DISEASES A 1,4-DI-SUBSTITUTED PIPERIDINE COMPOUND SCHERING CORPORATION (US) 2000-03-28 US claimed
US-5641795-A COMPOUNDS (TASTANDS, E.G. A DIPEPTIDE CONTAINING TAURINE AND/OR ALANINE) USED TO REDUCE OR ELIMINATE A BITTER OR METALLIC TASTE; FOODS; DRUGS; ARTIFICIAL SWEETENERS; POTASSIUM CHLORIDE BIORESEARCH INC. (US) 1997-06-24 US claimed
US-6906081-B2 Use of dual H3/M2 antagonists in the treatment of cognition deficit disorders SCHERING CORPORATION (US) 2005-06-14 US disclosed
US-20050096331-A1 Novel compounds and their use in medicine process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES INC. 2005-05-05 US disclosed
EP-1408965-A2 USE OF DUAL H3/M2 ANTAGONISTS WITH A BIPIPERIDINIC STRUCTURE IN THE TREATMENT OF COGNITION DEFICIT DISORDERS SCHERING CORPORATION (US) 2004-04-21 EP disclosed
US-6608194-B1 Hypolipidemic, antihyperglycemic, antiobesity and hypocholes-terolemic agents DR. REDDY'S LABORATORIES LIMITED (IN) 2003-08-19 US disclosed
US-20020151565-A1 Use of dual H3/M2 antagonists in the treatment of cognition deficit disorders SCHERING CORPORATION 2002-10-17 US disclosed
WO-2002072093-A2 USE OF DUAL H3/M2 ANTAGONISTS WITH A BIPIPERIDINIC STRUCTURE IN THE TREATMENT OF COGNITION DEFICIT DISORDERS SCHERING CORPORATION (US) 2002-09-19 WO disclosed
US-6043255-A ADMINISTERING TO A PATIENT SUFFERING FROM COGNITIVE DISORDER IN NEURODEGENERATIVE DISEASES A 1,4-DI-SUBSTITUTED PIPERIDINE COMPOUND SCHERING CORPORATION (US) 2000-03-28 US disclosed
US-5889006-A Muscarinic antagonists SCHERING CORPORATION (US) 1999-03-30 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 (3 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-20020077320-A1 Novel tricyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them LIPC, GPR119, CPT1A FAAH 435/4885TSHR 2506/4885ACHE 2649/4885
US-20050096331-A1 Novel compounds and their use in medicine process for their preparation and pharmaceutical compositions containing them GPR119, LIPA, CETP FAAH 1536/4885TSHR 2921/4885ACHE 3412/4885
US-20020151565-A1 Use of dual H3/M2 antagonists in the treatment of cognition deficit disorders HRH3, CHRM2, HRH4 FAAH 210/4885TSHR 259/4885ACHE 158/4885

“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.