SCHEMBL19386409

SCHEMBL19386409

CC(C)(C)Cc1ccc2c(c1)CC(=O)N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.51
MAOB P27338 3/20 0.48
GRIA1 P42261 2/20 0.47
CACNG8 Q8WXS5 2/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
SMYD3 Q9H7B4 1/20 0.45
PDK2 Q15119 1/20 0.44
EPHX2 P34913 2/20 0.44
PGR P06401 1/20 0.43
GAA P10253 2/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL12558349 0.87 AHR (0.51) AHRMAOBGRIA1CACNG8PDE3B
SCHEMBL5499095 0.86 MAOB (0.48) AHRMAOBGRIA1CACNG8PDE3B
SCHEMBL20244065 0.86 KIF11 (0.49) MAOBPDE3BPDE3ACYP1A2CYP11B1
SCHEMBL21024967 0.83 MAPT (0.49) MAOBKIF11
SCHEMBL7349900 0.82 AHR (0.53) AHRMAOBGRIA1CACNG8PDE3B
SCHEMBL6718109 0.82 BLM (0.52) AHRMAOBGRIA1CACNG8SMYD3
SCHEMBL6718105 0.82 BLM (0.52) AHRMAOBGRIA1CACNG8SMYD3
SCHEMBL578518 0.81 AHR (0.56) AHRMAOBGRIA1CACNG8PDE3B
SCHEMBL7121335 0.81 AHR (0.56) AHRMAOBGRIA1CACNG8PDE3B
SCHEMBL8670836 0.81 AHR (0.59) AHRMAOBGRIA1CACNG8PDE3B

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-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-9771359-B1 Substituted oxazole- and thiazole-based carboxamide and urea derivatives as vanilloid receptor ligands II MEDIFRON DBT INC. (KR) 2017-09-26 US disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 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 (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-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI AHR 4330/4885MAOB 764/4885GRIA1 4523/4885

“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.