SCHEMBL116780

SCHEMBL116780

CC(c1ccccc1)N(NC(=O)c1cccc2cnccc12)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
KCNA5 P22460 1/20 0.42
TRPV1 Q8NER1 10/20 0.41
DGAT2 Q96PD7 2/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
NR3C2 P08235 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL119147 0.82 KCNA5 (0.48) KCNA5TRPV1MEN1MAPK1KMT2A
SCHEMBL116779 0.74 KCNA5 (0.49) KCNA5TRPV1DGAT2
SCHEMBL17497820 0.71 MTOR (0.44) MEN1KMT2A
SCHEMBL117621 0.70 KCNA5 (0.52) KCNA5TRPV1MEN1MAPK1KMT2A
SCHEMBL23951812 0.67 USP30 (0.44) BACE1
SCHEMBL17737445 0.67 DEGS1 (0.56) MEN1MAPK1HTTBLMKMT2A
SCHEMBL8512149 0.67 KCNA5 (0.48) KCNA5TRPV1DGAT2MEN1MAPK1
Hydrochloric Acid SCHEMBL116894 0.66 KCNA5 (0.47) KCNA5TRPV1DGAT2MEN1MAPK1
SCHEMBL16886347 0.65 KDM4E (0.50) TRPV1SLC22A12
SCHEMBL20180732 0.65 CYP3A4 (0.50) TRPV1DGAT2MEN1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
EP-2424857-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010127330-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHAMACEUTICALS, INC. (US) 2010-11-04 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-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 BACE1 2115/4885KCNA5 4028/4885TRPV1 3131/4885

“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.