SCHEMBL933175

SCHEMBL933175

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3cnc4cc(Br)ccc4n3)cc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.45
CYP2C9 P11712 3/20 0.45
NR1I2 O75469 2/20 0.45
ABCB11 O95342 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
HPGDS O60760 3/20 0.44
PRCP P42785 11/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41

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
SCHEMBL9881422 0.93 PRCP (0.47) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12673210 0.93 HPGDS (0.44) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL9881421 0.90 PRCP (0.47) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL7603279 0.89 HPGDS (0.49) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12567811 0.89 HPGDS (0.49) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12661199 0.89 CYP3A4 (0.44) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL933610 0.88 PRCP (0.45) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL2708831 0.87 CYP3A4 (0.54) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL203414 0.87 CYP3A4 (0.54) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL203413 0.87 CYP3A4 (0.54) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 WO disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 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 (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-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS CYP3A4 237/4885CYP2C9 322/4885NR1I2 245/4885

“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.