SCHEMBL532950

SCHEMBL532950

Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MEN1 O00255 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
RAB9A P51151 7/20 0.53
MAPT P10636 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 4/20 0.44
GAA P10253 2/20 0.44
ATM Q13315 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL533027 0.91 RAB9A (0.56) KMT2ANPSR1MEN1CYP2C19CYP3A4
SCHEMBL533064 0.89 MAPT (0.56) KMT2ANPSR1MEN1CYP2C19CYP3A4
SCHEMBL532874 0.87 KMT2A (0.45) KMT2ANPSR1MEN1CYP2C19CYP3A4
SCHEMBL534076 0.87 POLB (0.53) KMT2ANPSR1MEN1CYP2C19CYP3A4
SCHEMBL532964 0.86 L3MBTL1 (0.47) KMT2ANPSR1MEN1CYP2C19CYP3A4
SCHEMBL532801 0.86 GAA (0.48) KMT2ANPSR1MEN1CYP2C19CYP3A4
SCHEMBL532983 0.85 MAPT (0.46) KMT2ANPSR1MEN1CYP2C19CYP3A4
SCHEMBL532973 0.85 MAPT (0.44) KMT2ANPSR1MEN1CYP2C19CYP3A4
SCHEMBL533116 0.85 MAPT (0.46) KMT2ANPSR1MEN1CYP2C19CYP3A4
SCHEMBL533307 0.85 F10 (0.43) KMT2ANPSR1MEN1CYP2C19CYP3A4

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
EP-2415760-A2 CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2012-02-08 EP disclosed
US-7579340-B2 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists PFIZER INC (US) 2009-08-25 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US 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
EP-1610753-A4 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC (US) 2007-07-04 EP disclosed
EP-1610753-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2006-01-04 EP 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
WO-2004073634-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-02 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-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 KMT2A 3063/4885NPSR1 275/4885MEN1 3986/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 KMT2A 3063/4885NPSR1 275/4885MEN1 3986/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 KMT2A 3063/4885NPSR1 275/4885MEN1 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.