SCHEMBL933176

SCHEMBL933176

CC(C)(C)[C@]1(c2ncc(-c3ccc(-c4cnc5cc(Br)ccc5n4)cc3)[nH]2)CCCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.37
HCRTR2 O43614 8/20 0.37
HPGD P15428 8/20 0.33
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL933804 0.80 SSTR3 (0.36) HCRTR1HCRTR2
SCHEMBL15848316 0.80 SSTR3 (0.39) HCRTR1HCRTR2
SCHEMBL15848318 0.80 SSTR3 (0.39) HCRTR1HCRTR2
SCHEMBL932655 0.75 ABL1 (0.35) HCRTR1HCRTR2
SCHEMBL1908293 0.74 LIPG (0.35)
SCHEMBL1908290 0.74 LIPG (0.35)
SCHEMBL933284 0.74 HPGDS (0.34) HCRTR1HCRTR2
SCHEMBL1980791 0.73 HCRTR1 (0.35) HCRTR1HCRTR2LMNARXFP1
SCHEMBL18813763 0.73 LIPG (0.35) HCRTR1HCRTR2
SCHEMBL18813762 0.73 LIPG (0.35) HCRTR1HCRTR2

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-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

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 HCRTR1 4187/4885HCRTR2 4696/4885HPGD 1841/4885

“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.