SCHEMBL3976652

SCHEMBL3976652

Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.48
ERAP1 Q9NZ08 1/20 0.44
LMNA P02545 5/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 4/20 0.41
MAPT P10636 5/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B2 P37059 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 3/20 0.40
THRB P10828 2/20 0.40
CCR2 P41597 1/20 0.40
POLB P06746 1/20 0.40
SLC20A2 Q08357 1/20 0.40
SLC20A1 Q8WUM9 1/20 0.40
DUSP3 P51452 1/20 0.39
PTPN5 P54829 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
SCHEMBL1199238 0.93 LMNA (0.46) NPSR1LMNAGAAMAPTHTT
SCHEMBL3973300 0.91 DNMT1 (0.42) NPSR1ERAP1LMNAMEN1KMT2A
SCHEMBL3979216 0.89 RAB9A (0.42) NPSR1LMNAMEN1KMT2AGAA
SCHEMBL3973255 0.89 RAD52 (0.43) LMNAMEN1KMT2AGAAMAPT
SCHEMBL3976014 0.88 SLC40A1 (0.40) NPSR1ERAP1LMNAMEN1KMT2A
SCHEMBL532871 0.88 MEN1 (0.45) LMNAMEN1KMT2AGAAMAPT
SCHEMBL3976455 0.88 ACLY (0.42) NPSR1LMNAMEN1KMT2AGAA
SCHEMBL3976237 0.87 MEN1 (0.44) LMNAMEN1KMT2AGAAMAPT
SCHEMBL3977279 0.87 FFAR4 (0.45) NPSR1LMNAMEN1KMT2AGAA
SCHEMBL3973861 0.85 LMNA (0.42) NPSR1LMNAMEN1KMT2AGAA

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-7579340-B2 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists PFIZER INC (US) 2009-08-25 US claimed
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. 2007-12-20 US claimed
US-7288538-B2 Cardiovascular homeostasis through combination of direct neuronal control and systemic neurohormonal activation ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-10-30 US claimed
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 US claimed
US-7579340-B2 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists PFIZER INC (US) 2009-08-25 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 NPSR1 275/4885ERAP1 317/4885LMNA 3809/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 NPSR1 275/4885ERAP1 317/4885LMNA 3809/4885

“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.