SCHEMBL532809

SCHEMBL532809

Cc1cc(C)c(N2CCCCC2)c(C)c1NC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
CHRNB2 P17787 2/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNA4 P43681 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ATM Q13315 1/20 0.45
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
NPY2R P49146 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL532826 0.99 ALDH1A1 (0.47) ALDH1A1LMNAL3MBTL1CHRNB2CHRNB4
SCHEMBL532902 0.92 L3MBTL1 (0.43) ALDH1A1LMNAL3MBTL1CHRNB2CHRNB4
SCHEMBL533307 0.90 F10 (0.43) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL533536 0.90 L3MBTL1 (0.49) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL8320252 0.90 ALDH1A1 (0.46) ALDH1A1LMNAL3MBTL1CHRNB2CHRNB4
SCHEMBL533668 0.90 HDAC7 (0.43) ALDH1A1LMNAL3MBTL1CHRNA3CHRNA4
SCHEMBL533138 0.89 NPC1 (0.46) ALDH1A1LMNAL3MBTL1CHRNB2CHRNB4
SCHEMBL533116 0.89 MAPT (0.46) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL532940 0.89 GAA (0.50) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL14288688 0.88 MTTP (0.52) ALDH1A1LMNASMN1; SMN2MAPTGAA

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 9 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
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 (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 ALDH1A1 3281/4885LMNA 3809/4885L3MBTL1 4276/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ALDH1A1 3281/4885LMNA 3809/4885L3MBTL1 4276/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 ALDH1A1 3281/4885LMNA 3809/4885L3MBTL1 4276/4885

“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.