SCHEMBL19474602

SCHEMBL19474602

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(ccc4oc5cc(-c6cnc([C@@H]7CCCN7C(=O)OC(C)(C)C)[nH]6)ccc5c(=O)c43)c2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.49
PRCP P42785 7/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2C9 P11712 3/20 0.43
ABCB11 O95342 1/20 0.43
OPRK1 P41145 1/20 0.43
KCNH2 Q12809 1/20 0.43
HPGDS O60760 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
GPR119 Q8TDV5 2/20 0.37

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
SCHEMBL30643533 1.00 NR1I2 (0.49) NR1I2PRCPCYP3A4CYP2C9ABCB11
SCHEMBL15372079 0.90 NR1I2 (0.47) NR1I2PRCPCYP3A4CYP2C9ABCB11
SCHEMBL10213444 0.90 NR1I2 (0.47) NR1I2PRCPCYP3A4CYP2C9ABCB11
SCHEMBL10170870 0.90 NR1I2 (0.47) NR1I2PRCPCYP3A4CYP2C9ABCB11
SCHEMBL2709583 0.89 PRCP (0.50) NR1I2PRCPCYP3A4CYP2C9ABCB11
SCHEMBL18462513 0.89 PRCP (0.50) NR1I2PRCPCYP3A4CYP2C9ABCB11
SCHEMBL204446 0.89 PRCP (0.50) NR1I2PRCPCYP3A4CYP2C9ABCB11
SCHEMBL20952483 0.89 NR1I2 (0.49) NR1I2PRCPCYP3A4CYP2C9ABCB11
SCHEMBL19513739 0.88 NR1I2 (0.45) NR1I2PRCPCYP3A4CYP2C9ABCB11
SCHEMBL17327262 0.88 PRCP (0.51) NR1I2PRCPCYP3A4CYP2C9ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017181383-A1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-10-26 WO claimed
EP-3445367-B1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-22 EP disclosed
US-10787441-B2 Hepatitis C virus inhibitors MERCK SHARP & DOHME CORP. (US) 2020-09-29 US disclosed
US-20190127355-A1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-02 US disclosed
WO-2017181383-A1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-10-26 WO disclosed
WO-2017184476-A1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-10-26 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 (2 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-10787441-B2 Hepatitis C virus inhibitors HAVCR2, FABP1, SLC10A1 NR1I2 110/4885PRCP 313/4885CYP3A4 140/4885
US-20190127355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, FABP1, SLC10A1 NR1I2 110/4885PRCP 313/4885CYP3A4 140/4885

“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.