SCHEMBL2857968

SCHEMBL2857968

CCCCCC1CCCCC1N

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.49
CYP1A2 P05177 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
SPHK1 Q9NYA1 7/20 0.38
SPHK2 Q9NRA0 4/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
THRB P10828 1/20 0.38
EPHX1 P07099 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
ALOX5 P09917 1/20 0.36

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
SCHEMBL2863702 0.98 DPP4 (0.47) DPP4CYP1A2CA1CA2CA4
SCHEMBL2869525 0.98 DPP4 (0.47) DPP4CYP1A2CA1CA2CA4
SCHEMBL2447602 0.98 DPP4 (0.47) DPP4CYP1A2CA1CA2CA4
SCHEMBL2453079 0.98 DPP4 (0.47) DPP4CYP1A2CA1CA2CA4
SCHEMBL2448263 0.98 DPP4 (0.47) DPP4CYP1A2CA1CA2CA4
SCHEMBL5562923 0.98 DPP4 (0.51) DPP4CYP1A2CA1CA2CA4
SCHEMBL24679533 0.96 DPP4 (0.45) DPP4CYP1A2CA1CA2CA4
SCHEMBL5573676 0.96 DPP4 (0.45) DPP4CYP1A2CA1CA2CA4
SCHEMBL2449974 0.93 DPP4 (0.54) DPP4CYP1A2CA1CA2CA4
SCHEMBL18802306 0.91 DPP4 (0.57) DPP4CYP1A2CA1CA2CA4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006102308-A2 BETA-LACTAMYL VASOPRESSIN V1B ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2006-09-28 WO claimed
CN-1898317-B Composition and method for controlling crystallization rate of polyolefin-based resin, resin composition, and resin molded article NEW JAPAN CHEM CO LTD 2010-11-24 CN disclosed
CN-1867540-B Amides, polyolefin resin compositions, and moldings NEW JAPAN CHEM CO LTD 2010-05-26 CN disclosed
US-7723413-B2 Method and composition for control of crystallization rate of polyolefin resin, resin composition and resin molding NEW JAPAN CHEMICAL CO., LTD. (JP) 2010-05-25 US disclosed
US-7696380-B2 Such as 1,2,3-propanetricarboxylic acid tris(trans-2-methylcycloheylamide; nucleation NEW JAPAN CHEMICAL CO., LTD. (JP) 2010-04-13 US disclosed
EP-1715000-B1 METHOD AND COMPOSITION FOR CONTROL OF CRYSTALLIZATION RATE OF POLYOLEFIN RESIN, RESIN COMPOSITION AND RESIN MOLDING NEW JAPAN CHEM CO LTD (JP) 2010-03-10 EP disclosed
EP-2083045-A1 Method and composition for control of crystallization rate of polyolefin resin, resin composition and resin molding New Japan Chemical Co., Ltd. (JP) 2009-07-29 EP disclosed
CN-100467468-C Triaza-spiropiperidine derivatives for use as GLYT-1 inhibitors in the treatment of neurological and neuropsychiatric disorders HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
EP-1678177-B1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS HOFFMANN LA ROCHE (CH) 2007-11-28 EP disclosed
US-20070142514-A1 Method and composition for control of crystallization rate of polyolefin resin, resin composition and resin molding NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-06-21 US disclosed
EP-1678177-A1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-12 EP disclosed
EP-1674447-A1 AMIDES, POLYOLEFIN RESIN COMPOSITIONS, AND MOLDINGS NEW JAPAN CHEMICAL CO.,LTD. (JP) 2006-06-28 EP disclosed
US-20050245607-A1 N-bisaryl- and n-aryl-cylcloakylidenyl-alpha-hydroxy-and alpha-alkoxy acid amides SYNGENTA CROP PROTECTION, INC. 2005-11-03 US disclosed
EP-1534664-A1 N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-ALPHA-HYDROXY-AND ALPHA-ALKOXY ACID AMIDES Syngenta Participations AG (CH) 2005-06-01 EP disclosed
US-20050107373-A1 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 US disclosed
WO-2005040166-A1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
US-20040214721-A1 Novel n-bisaryl- and n-aryl-cycloalkylidenyl-alpha-sulfin- and alpha-sulfonamino acid amides SYNGENTA CROP PROTECTION, INC. 2004-10-28 US disclosed
EP-1399418-A1 NOVEL N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-$G(a)-SULFIN- AND $G(a)-SULFONAMINO ACID AMIDES Syngenta Participations AG (CH) 2004-03-24 EP disclosed
WO-2004011417-A1 N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-ALPHA-HYDROXY-AND ALPHA-ALKOXY ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-02-05 WO disclosed
WO-2003002525-A1 NOVEL N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-$G(a)-SULFIN- AND $G(a)-SULFONAMINO ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-01-09 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 (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-20040214721-A1 Novel n-bisaryl- and n-aryl-cycloalkylidenyl-alpha-sulfin- and alpha-sulfonamino acid amides ARSA, SFN, HCCS DPP4 2478/4885CYP1A2 2229/4885CA1 224/4885
US-20050245607-A1 N-bisaryl- and n-aryl-cylcloakylidenyl-alpha-hydroxy-and alpha-alkoxy acid amides CBR3, CBR1, AKR1C3 DPP4 3428/4885CYP1A2 286/4885CA1 765/4885
US-20050107373-A1 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease GRIN1, GRIN2A, GRM1 DPP4 554/4885CYP1A2 2564/4885CA1 851/4885

“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.