SCHEMBL1127688

SCHEMBL1127688

COc1cccc(CC(C(=O)O)c2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
HIF1A Q16665 1/20 0.44
GRM4 Q14833 1/20 0.44
CYP1A2 P05177 1/20 0.44
PPARA Q07869 1/20 0.43
MAOB P27338 1/20 0.43
CTBP2 P56545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NR3C2 P08235 1/20 0.43

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
SCHEMBL1127447 0.88 KMT2A (0.49) TAAR1GRM4MEN1KMT2ANR3C2
SCHEMBL13662291 0.85 TAAR1 (0.45) TAAR1GRM4MEN1KMT2ANR3C2
SCHEMBL1127831 0.83 KMT2A (0.45) TAAR1GRM4PPARAMEN1KMT2A
SCHEMBL1127361 0.82 CYP1A2 (0.53) CYP1A2
SCHEMBL1127832 0.82 TAAR1 (0.40) TAAR1PPARAKMT2ANR3C2
SCHEMBL10202967 0.81 MTNR1A (0.54) TAAR1HIF1ACYP1A2CTBP2MEN1
SCHEMBL11327300 0.79 TAAR1 (0.63) TAAR1MAOB
SCHEMBL13662251 0.79 TAAR1 (0.51) TAAR1HIF1AGRM4MAOB
SCHEMBL25215975 0.76 PSMB5 (0.48) HIF1ACYP1A2MEN1KMT2A
SCHEMBL7041441 0.76 MTNR1A (0.61) PPARAMTNR1AMTNR1B

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
EP-2283002-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF TAAR1 4249/4885HIF1A 739/4885GRM4 4733/4885

“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.