SCHEMBL2710085

SCHEMBL2710085

CC(C)(C)OC(=O)N1CCC[C@@H]1c1ncc(-c2ccc3c(c2)COc2cc(-c4ccc5nc([C@@H]6CCCN6C(=O)OC(C)(C)C)[nH]c5c4)ccc2-3)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.41
HCRTR2 O43614 10/20 0.41
PRCP P42785 3/20 0.41
CHEK2 O96017 1/20 0.40
NR1I2 O75469 2/20 0.39
ABCB11 O95342 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
HPGDS O60760 1/20 0.39

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
SCHEMBL18462787 1.00 HCRTR1 (0.41) HCRTR1HCRTR2PRCPCHEK2NR1I2
SCHEMBL206336 1.00 HCRTR1 (0.41) HCRTR1HCRTR2PRCPCHEK2NR1I2
SCHEMBL762064 0.97 PRCP (0.41) HCRTR1HCRTR2PRCPCHEK2NR1I2
SCHEMBL206403 0.92 PRCP (0.47) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL2707855 0.92 PRCP (0.47) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL2709432 0.91 HCRTR1 (0.44) HCRTR1HCRTR2PRCPCHEK2NR1I2
SCHEMBL205792 0.91 HCRTR1 (0.44) HCRTR1HCRTR2PRCPCHEK2NR1I2
SCHEMBL17644214 0.89 PRCP (0.46) HCRTR1HCRTR2PRCPNR1I2ABCB11
SCHEMBL19339555 0.88 HCRTR1 (0.36) HCRTR1HCRTR2PRCPCHEK2
SCHEMBL749228 0.88 PRCP (0.44) HCRTR1HCRTR2PRCPCHEK2NR1I2

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 HCRTR1 4298/4885HCRTR2 4654/4885PRCP 599/4885

“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.