SCHEMBL2968640

SCHEMBL2968640

CCCCc1cccc(-n2c(C)ccc2C)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
PDE10A Q9Y233 6/20 0.38
NOS2 P35228 1/20 0.37
TLR7 Q9NYK1 2/20 0.36
APLNR P35414 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TGFBR1 P36897 1/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34

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
SCHEMBL2974037 0.90 KCNH2 (0.43) KCNH2PDE10ANOS2
SCHEMBL6501711 0.85 KCNH2 (0.40) KCNH2PDE10ANOS2TLR8TGFBR1
SCHEMBL2015923 0.82 PDE10A (0.36) KCNH2PDE10A
SCHEMBL7202960 0.81 IRAK4 (0.41) KCNH2PDE10ANOS2
SCHEMBL25379810 0.78 LIPG (0.40)
SCHEMBL1404092 0.78 KCNH2 (0.83) KCNH2NOS2TLR7TLR8
SCHEMBL7798225 0.78 PDE10A (0.37) KCNH2PDE10ANOS2
SCHEMBL25378990 0.77 HTR1A (0.40) KCNH2
SCHEMBL6500417 0.76 KCNH2 (0.49) KCNH2
SCHEMBL18586993 0.75 MAPT (0.45)

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
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (2 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KCNH2 4591/4885PDE10A 4218/4885NOS2 1264/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KCNH2 4591/4885PDE10A 4218/4885NOS2 1264/4885

“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.