SCHEMBL1645249

SCHEMBL1645249

Cc1cc([C@@H](C)NC(=O)c2ccc3cc(N4CCOCC4)ccc3c2)ccc1NS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CNR1 P21554 3/20 0.42
CNR2 P34972 3/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
TERT O14746 1/20 0.40
TNIK Q9UKE5 1/20 0.40
ADRB2 P07550 2/20 0.40
ADRB3 P13945 2/20 0.40
LRRK2 Q5S007 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 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
SCHEMBL1645472 0.92 GFER (0.41) UBE2NALDH1A1MEN1KMT2AEPHX2
SCHEMBL1285209 0.92 GFER (0.42) UBE2NALDH1A1MEN1KMT2AEPHX2
SCHEMBL1646174 0.91 GFER (0.42) UBE2NALDH1A1MEN1KMT2ACNR2
SCHEMBL1645101 0.87 ALDH1A1 (0.51) UBE2NALDH1A1LMNAMEN1KMT2A
SCHEMBL1285476 0.82 KDM4E (0.48) ALDH1A1MEN1KMT2AGAA
SCHEMBL1285010 0.80 KMT2A (0.44) ALDH1A1LMNAMEN1KMT2A
SCHEMBL1285292 0.80 DHODH (0.48) ALDH1A1LMNAKMT2AGAA
SCHEMBL1285407 0.79 CNR1 (0.49) MEN1KMT2ACNR1CYP3A4CYP2C9
SCHEMBL1285150 0.79 PDE2A (0.42) ALDH1A1
SCHEMBL1284683 0.78 NR1H4 (0.47) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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 (1 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 UBE2N 4613/4885ALDH1A1 1265/4885LMNA 2439/4885

“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.