SCHEMBL889389

SCHEMBL889389

O=C(OCc1ccccc1)N1CCC[C@H]1c1nc(-c2ccc(Br)cc2)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.44
PREP P48147 4/20 0.43
TMEM97 Q5BJF2 4/20 0.42
SIGMAR1 Q99720 4/20 0.42
ACE2 Q9BYF1 2/20 0.41
CTRB1 P17538 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40

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
SCHEMBL13132670 0.91 AADAT (0.44) AADATPREPTMEM97SIGMAR1ACE2
SCHEMBL1061828 0.90 TMEM97 (0.48) AADATPREPTMEM97SIGMAR1ABHD6
SCHEMBL12600595 0.90 TMEM97 (0.48) AADATPREPTMEM97SIGMAR1ABHD6
SCHEMBL755564 0.88 AADAT (0.44) AADATPREPTMEM97SIGMAR1ACE2
SCHEMBL12565619 0.86 AADAT (0.48) AADATPREPTMEM97SIGMAR1ACE2
SCHEMBL12159755 0.86 AADAT (0.43) AADATPREPTMEM97SIGMAR1ACE2
SCHEMBL14886226 0.84 DGAT1 (0.42) AADATPREPTMEM97SIGMAR1ACE2
SCHEMBL27855003 0.83 HCRTR1 (0.39)
SCHEMBL3781488 0.83 HCRTR1 (0.39)
SCHEMBL18020343 0.83 GPBAR1 (0.38) PREPABHD6DAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
WO-2012087976-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-06-28 WO disclosed
US-8147818-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 WO disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 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 (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-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AADAT 2303/4885PREP 440/4885TMEM97 3246/4885
US-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS AADAT 2969/4885PREP 2563/4885TMEM97 994/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 AADAT 2930/4885PREP 519/4885TMEM97 1707/4885

“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.