SCHEMBL533108

SCHEMBL533108

Cc1ccc(N)c(C)c1N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 5/20 0.42
MAPT P10636 5/20 0.42
KMT2A Q03164 5/20 0.42
GAA P10253 5/20 0.42
THRB P10828 3/20 0.42
NR4A1 P22736 1/20 0.42
PTK2B Q14289 1/20 0.42
L3MBTL1 Q9Y468 5/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 3/20 0.39
ALOX15 P16050 2/20 0.39
S100B P04271 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KEAP1 Q14145 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
POLB P06746 2/20 0.35

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
SCHEMBL534152 0.98 ALDH1A1 (0.42) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL6849124 0.88 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL5564547 0.86 ALDH1A1 (0.46) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL5318242 0.82 ALDH1A1 (0.42) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL11446174 0.82 ALDH1A1 (0.46) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL30667342 0.76 ALDH1A1 (0.49) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL5092234 0.74 ALDH1A1 (0.51) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL532945 0.72 ALDH1A1 (0.42) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL15462283 0.72 ALDH1A1 (0.61) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL6854811 0.71 LGMN (0.47) ALDH1A1MEN1MAPTKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415760-A2 CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2012-02-08 EP disclosed
US-20110028469-A1 Thiphene-2-Carboxamide Derivatives As Modulators of CCR9 Receptor ANDERSON ERIC C 2011-02-03 US disclosed
US-20110028469-A1 Thiphene-2-Carboxamide Derivatives As Modulators of CCR9 Receptor ANDERSON ERIC C 2011-02-03 US disclosed
US-20110028469-A1 Thiphene-2-Carboxamide Derivatives As Modulators of CCR9 Receptor ANDERSON ERIC C 2011-02-03 US disclosed
EP-2207772-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS MODULATORS OF CCR9 RECEPTOR ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-07-21 EP disclosed
US-7579340-B2 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists PFIZER INC (US) 2009-08-25 US disclosed
WO-2009044311-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS MODULATORS OF CCR9 RECEPTOR ENCYSIVE PHARMACEUTICALS INC. (US) 2009-04-09 WO disclosed
WO-2009044311-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS MODULATORS OF CCR9 RECEPTOR ENCYSIVE PHARMACEUTICALS INC. (US) 2009-04-09 WO disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-7288538-B2 Cardiovascular homeostasis through combination of direct neuronal control and systemic neurohormonal activation ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-10-30 US disclosed
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 US disclosed
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2004-09-16 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 (4 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-20110028469-A1 Thiphene-2-Carboxamide Derivatives As Modulators of CCR9 Receptor CCR9, CCR1, CCR10 ALDH1A1 1264/4885MEN1 4535/4885MAPT 3701/4885
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ALDH1A1 3281/4885MEN1 3986/4885MAPT 2351/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ALDH1A1 3281/4885MEN1 3986/4885MAPT 2351/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ALDH1A1 3281/4885MEN1 3986/4885MAPT 2351/4885

“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.