Sugi Predict

Sugi Predict / Compounds / SCHEMBL12416099

SCHEMBL12416099

SCHEMBL12416099

CC(C)(C)C(=O)C1CC(Oc2ccc3ccccc3c2)CN1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.37
▸ PPARG P37231 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ FPR2 P25090 2/20 0.37
▸ PROKR1 Q8TCW9 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34

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
SCHEMBL7420053 0.88 KCNH2 (0.41) PPARGPPARAKCNH2L3MBTL1CHRM2
SCHEMBL12416120 0.86 CHRM2 (0.41) KCNH2CHRM2CHRM3
SCHEMBL14534904 0.86 PPARG (0.41) PPARGPPARARAB9AMEN1ALDH1A1
SCHEMBL12416123 0.83 NPC1 (0.39) HRH3RAB9AKMT2ANPC1HPGD
Trifluoroacetic Acid SCHEMBL6413874 0.82 CHRM3 (0.37) PPARGPPARAKCNH2CHRM2CHRM4
SCHEMBL12416119 0.80 ALDH1A1 (0.41) RAB9AMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL10025296 0.79 CYP1A2 (0.37) HRH3PPARGPPARAFPR2PROKR1
SCHEMBL8278753 0.75 HRH3 (0.40) HRH3PPARGPPARAFPR2PROKR1
SCHEMBL14592054 0.75 PPARG (0.40) HRH3PPARGPPARAFPR2PROKR1
SCHEMBL13017370 0.75 CHRM2 (0.42) HRH3KCNH2CHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140056847-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-27 — — US disclosed
US-20130177531-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-11 — — US disclosed
US-20110171175-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-14 — — US disclosed
US-20110171175-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-14 — — US disclosed
US-20070105781-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 — — 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 (4 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-20110171175-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SERPINB1, PRSS3 HRH3 2032/4885PPARG 4844/4885PPARA 4798/4885
US-20140056847-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SERPINB1, PRSS3 HRH3 2032/4885PPARG 4844/4885PPARA 4798/4885
US-20130177531-A1 Inhibitors of Serine Proteases PRSS1, SERPINB1, PRSS3 HRH3 2032/4885PPARG 4844/4885PPARA 4798/4885
US-20070105781-A1 Inhibitors of serine proteases PRSS1, SERPINB1, PRSS3 HRH3 1918/4885PPARG 4843/4885PPARA 4801/4885

“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.