SCHEMBL690454

SCHEMBL690454

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ncc(-c4cnc([C@@]5(C(C)(C)C)CCCN5C(=O)O)[nH]4)cn3)cc2F)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.40
PRCP P42785 5/20 0.36
CPT1A P50416 2/20 0.33
GPR119 Q8TDV5 5/20 0.33
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
CPT2 P23786 1/20 0.31
UCHL1 P09936 1/20 0.31
USP30 Q70CQ3 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL691463 0.86 HPGDS (0.48) HPGDSPRCPCPT1ACYP1A2CYP3A4
SCHEMBL690453 0.86 HPGDS (0.49) HPGDSPRCPGPR119CYP1A2CYP3A4
SCHEMBL1745859 0.84 PRCP (0.41) HPGDSPRCPCYP1A2CYP3A4CYP2D6
SCHEMBL1747514 0.79 PRCP (0.45) PRCPCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1746052 0.78 PRCP (0.42) PRCPCPT1A
SCHEMBL692400 0.78 HPGDS (0.47) HPGDSPRCPCYP1A2CYP3A4CYP2D6
SCHEMBL13748215 0.78 HPGDS (0.53) HPGDSPRCPCYP1A2CYP3A4CYP2D6
SCHEMBL1746313 0.78 CYP3A4 (0.39) HPGDSPRCPCYP1A2CYP3A4CYP2D6
SCHEMBL12175000 0.77 HPGDS (0.54) HPGDSPRCPCYP1A2CYP3A4CYP2D6
SCHEMBL1746735 0.77 PRCP (0.44) HPGDSPRCP

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
EP-2049116-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP claimed
US-7659270-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-09 US claimed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed
EP-2049116-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 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 (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-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885PRCP 190/4885CPT1A 24/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885PRCP 190/4885CPT1A 24/4885

“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.