SCHEMBL1127845

SCHEMBL1127845

CC(C)CCNc1ccn[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
UTS2R Q9UKP6 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
FFAR2 O15552 1/20 0.37
PKM P14618 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX12 P18054 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.35
CTSK P43235 1/20 0.34
ADORA2A P29274 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SOD1 P00441 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL13045345 0.81 ESR1 (0.40) CYP2C9FFAR2PKMCYP3A4CTSK
SCHEMBL13356973 0.79
SCHEMBL27669529 0.76 CYP3A4 (0.41) CYP1A2UTS2RCYP2C9CYP2C19PKM
SCHEMBL22957169 0.75
SCHEMBL4565097 0.74 GPR84 (0.44) CYP1A2UTS2RCYP2C9CYP2C19PKM
SCHEMBL22074334 0.74 PKM (0.36) CYP2C9FFAR2PKMCYP3A4SOD1
SCHEMBL13180379 0.74
SCHEMBL9601311 0.72 SOD1 (0.37) PKMSOD1POLBHOGA1LMNA
SCHEMBL9601315 0.72 USP2 (0.42) PKMALDH1A1SOD1POLBHSD17B10
SCHEMBL12411186 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102026990-A Novel inhibitors of hepatitis c virus replication INTERMUNE INC 2011-04-20 CN disclosed
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
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
WO-2009039323-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-26 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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF CYP1A2 1659/4885UTS2R 3374/4885CYP2C9 3740/4885

“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.