SCHEMBL2708770

SCHEMBL2708770

CC(C)(C)OC(=O)N1CCC[C@@H]1c1ncc(-c2ccc(-c3ccc4nc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]c4c3)cc2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
CYP2C9 P11712 3/20 0.50
NR1I2 O75469 1/20 0.50
ABCB11 O95342 1/20 0.50
OPRK1 P41145 1/20 0.50
KCNH2 Q12809 1/20 0.50
PRCP P42785 7/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
HCRTR1 O43613 7/20 0.46
HCRTR2 O43614 7/20 0.46
CHEK2 O96017 1/20 0.46
HPGDS O60760 1/20 0.45
USP30 Q70CQ3 1/20 0.45

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
SCHEMBL10092391 1.00 CYP3A4 (0.50) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL13192598 1.00 CYP3A4 (0.50) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL10092587 1.00 CYP3A4 (0.50) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL10125969 1.00 CYP3A4 (0.50) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL6127051 0.97 PRCP (0.48) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL6127047 0.97 PRCP (0.48) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL16001548 0.95 HPGDS (0.49) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL9977180 0.95 HPGDS (0.49) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL1293564 0.95 HCRTR1 (0.47) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL1293561 0.95 HCRTR1 (0.47) CYP3A4CYP2C9NR1I2ABCB11OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (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-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885NR1I2 3435/4885

“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.