SCHEMBL692400

SCHEMBL692400

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cnc(-c3ccc(-c4[nH]c([C@@]5(C(C)(C)C)CCCN5C(=O)O)nc4C(F)(F)F)cc3)nc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.47
PRCP P42785 8/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL1746982 0.95 CYP3A4 (0.43) HPGDSPRCPCYP3A4CYP2C9CYP1A2
SCHEMBL693793 0.90 HPGDS (0.45) HPGDSPRCPCYP3A4CYP2C9CYP1A2
SCHEMBL690398 0.85 HPGDS (0.53) HPGDSPRCPCYP3A4CYP2C9CYP1A2
SCHEMBL692399 0.85 HPGDS (0.54) HPGDSPRCPCYP3A4CYP2C9CYP1A2
SCHEMBL1747547 0.85 PRCP (0.45) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1747454 0.83 CYP3A4 (0.42) HPGDSPRCPCYP3A4CYP2C9CYP1A2
SCHEMBL693794 0.82 HPGDS (0.51) HPGDSPRCPCYP3A4CYP2C9CYP1A2
SCHEMBL691115 0.80 HPGDS (0.49) HPGDSPRCPCYP3A4CYP2C9CYP1A2
SCHEMBL13560517 0.80 HPGDS (0.51) HPGDSPRCPCYP3A4CYP2C9CYP1A2
SCHEMBL3343500 0.79 CYP3A4 (0.49) HPGDSPRCPCYP3A4CYP2C9CYP1A2

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-20100233120-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-09-16 US 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
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100233120-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885PRCP 190/4885CYP3A4 1107/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885PRCP 190/4885CYP3A4 1107/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885PRCP 190/4885CYP3A4 1107/4885

“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.