SCHEMBL116779

SCHEMBL116779

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.49
TRPV1 Q8NER1 6/20 0.48
DGAT2 Q96PD7 2/20 0.42
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CYP3A4 P08684 1/20 0.40
ACACB O00763 1/20 0.39
ACACA Q13085 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
SCHEMBL119146 0.82 KCNA5 (0.55) KCNA5TRPV1CYP3A4
SCHEMBL8512149 0.77 KCNA5 (0.48) KCNA5TRPV1DGAT2
SCHEMBL9848834 0.77 CTSK (0.52) CTSSCTSK
Hydrochloric Acid SCHEMBL116894 0.76 KCNA5 (0.47) KCNA5TRPV1DGAT2
SCHEMBL15283622 0.75 CTSK (0.55) CTSSCTSK
SCHEMBL116780 0.74 BACE1 (0.42) KCNA5TRPV1DGAT2
SCHEMBL116716 0.73 TRPV1 (0.55) TRPV1
SCHEMBL28289884 0.73 CTSK (0.53) CTSSCTSK
SCHEMBL28288450 0.73 CTSK (0.53) CTSSCTSK
SCHEMBL21531710 0.73 CTSS (0.44) CTSSCTSK

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 7 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
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-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
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 KCNA5 4028/4885TRPV1 3131/4885DGAT2 1578/4885

“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.