SCHEMBL9912059

SCHEMBL9912059

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3ccccc3c2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 9/20 0.55
HPGDS O60760 3/20 0.52
NR1I2 O75469 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
ABCB11 O95342 1/20 0.49
OPRK1 P41145 1/20 0.49
KCNH2 Q12809 1/20 0.49
HCRTR1 O43613 2/20 0.47
HCRTR2 O43614 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL2709400 0.96 PRCP (0.54) PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL2707745 0.94 PRCP (0.52) PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL12965885 0.94 PRCP (0.52) PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL2710848 0.93 CYP3A4 (0.54) PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL2757500 0.93 CYP3A4 (0.54) PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL203107 0.93 CYP3A4 (0.54) PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL18582731 0.93 PRCP (0.49) PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL18582729 0.93 PRCP (0.49) PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL203503 0.91 PRCP (0.50) PRCPHPGDSNR1I2CYP3A4CYP2C9
SCHEMBL13070742 0.91 HCRTR1 (0.52) PRCPHPGDSNR1I2CYP3A4CYP2C9

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
EP-2808325-A1 Substituted azoles, anti-viral active ingredient, pharmaceutical composition, method for the production and use thereof Alla Chem, LLC. (US) 2014-12-03 EP disclosed
EP-2657231-A2 SUBSTITUTED AZOLES, ANTI-VIRAL ACTIVE INGREDIENT, PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Ivachtchenko, Alexandre Vasilievich (US) 2013-10-30 EP disclosed
US-20130253008-A1 SUBSTITUTED AZOLES, ANTIVIRAL ACTIVE COMPONENT, PHARMACEUTICAL COMPOSITION, METHOD FOR PREPARATION AND USE THEREOF ALLA CHEM LLC (US) 2013-09-26 US disclosed
WO-2012074437-A2 SUBSTITUTED AZOLES, ANTI-VIRAL ACTIVE INGREDIENT, PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF АЛЛА ХЕМ, ЛЛС (US) 2012-06-07 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-20130253008-A1 SUBSTITUTED AZOLES, ANTIVIRAL ACTIVE COMPONENT, PHARMACEUTICAL COMPOSITION, METHOD FOR PREPARATION AND USE THEREOF HCCS, EIF2AK2, HAVCR2 PRCP 1773/4885HPGDS 1459/4885NR1I2 201/4885

“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.