SCHEMBL533139

SCHEMBL533139

Cc1ccc(N2CCCC2)c(C)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
GAA P10253 6/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPT P10636 4/20 0.55
THRB P10828 3/20 0.55
NR4A1 P22736 1/20 0.55
PTK2B Q14289 1/20 0.55
POLB P06746 2/20 0.50
ALDH1A3 P47895 2/20 0.43
S100B P04271 2/20 0.43
KEAP1 Q14145 1/20 0.42
ADRB1 P08588 1/20 0.42
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALOX15 P16050 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL533566 0.98 ALDH1A1 (0.53) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL1199030 0.83 L3MBTL1 (0.51) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL11200871 0.76 ALDH1A1 (0.50) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL5563973 0.75 ALDH1A1 (0.40) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL29209032 0.74 ALDH1A1 (0.49) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL9059115 0.74 KEAP1 (0.55) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL19700166 0.74 CTSB (0.55) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL3341828 0.72 ALDH1A1 (0.70) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL6156455 0.72 ALDH1A1 (0.96) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL9065303 0.72 ALDH1A1 (0.46) ALDH1A1GAAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858900-B2 Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives OCUTERRA THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-20170355679-A1 FLUORINATED 2-AMINO-4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES SCIFLUOR LIFE SCIENCES, INC. 2017-12-14 US disclosed
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 (6 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 1264/4885GAA 2884/4885MEN1 4535/4885
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ALDH1A1 3281/4885GAA 2037/4885MEN1 3986/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ALDH1A1 3281/4885GAA 2037/4885MEN1 3986/4885
US-20170355679-A1 FLUORINATED 2-AMINO-4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES KCNQ2, KCNQ1, KCNQ3 ALDH1A1 4495/4885GAA 3952/4885MEN1 2261/4885
US-11858900-B2 Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives KCNQ2, KCNQ1, KCNQ3 ALDH1A1 4495/4885GAA 3952/4885MEN1 2261/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ALDH1A1 3281/4885GAA 2037/4885MEN1 3986/4885

“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.