SCHEMBL616084

SCHEMBL616084

C1CCNC(N2CCCCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2D6 P10635 5/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
CHRM5 P08912 2/20 0.32
ADRA2C P18825 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MLNR O43193 1/20 0.32
ABCB11 O95342 1/20 0.32
EGFR P00533 1/20 0.32
FYN P06241 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL5241137 1.00 HTR6 (0.39) HTR6MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL6817248 1.00 HTR6 (0.39) HTR6MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL4023649 1.00 HTR6 (0.39) HTR6MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL1181468 0.98 HTR6 (0.40) HTR6MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL22628194 0.98 HTR6 (0.40) HTR6MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL548524 0.95 HTR6 (0.39) HTR6MEN1KMT2ACYP2D6ALDH1A1
SCHEMBL9632289 0.93 KDM4E (0.38) HTR6MEN1KMT2AALDH1A1KDM4E
SCHEMBL28210606 0.93 MEN1 (0.36) HTR6MEN1KMT2AALDH1A1KDM4E
SCHEMBL1202752 0.93 MEN1 (0.36) HTR6MEN1KMT2AALDH1A1KDM4E
SCHEMBL9388849 0.93 HTR6 (0.40) HTR6MEN1KMT2ACYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US disclosed
EP-2297106-A1 PHENOXYPYRIDINYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PDE4 MEDIATED DISEASE STATES AstraZeneca AB (SE) 2011-03-23 EP disclosed
CN-100393318-C Asiaticoside external use sterile powder and its preparation method HANGZHOU YINNUOBANG PHARMACEUT (CN) 2008-06-11 CN disclosed
US-7282497-B2 Pyrrolidin-2-one derivatives as inhibitors of factor xa GLAXO GROUP LIMITED (GB) 2007-10-16 US disclosed
US-20070197510-A1 Nitriles and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
CN-1830450-A Asiaticoside external use sterile powder and its preparation method HANGZHOU YINNUOBANG MEDICINE S (CN) 2006-09-13 CN disclosed
US-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics GLAXO GROUP LIMITED (GB) 2006-07-20 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-20070197510-A1 Nitriles and medicinal compositions containing the same as the active ingredient CTRL, NOS1, CPN1 HTR6 4339/4885MEN1 1758/4885KMT2A 2888/4885
US-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics SULT1E1, SULT1A1, SULT2A1 HTR6 628/4885MEN1 3150/4885KMT2A 1488/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 HTR6 211/4885MEN1 3913/4885KMT2A 3826/4885

“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.