SCHEMBL13330355

SCHEMBL13330355

CCNc1ccnc2nc(C(C)(C)C)ccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.38
ADRA1D P25100 9/20 0.38
ADRA1A P35348 9/20 0.38
ADRA1B P35368 9/20 0.38
IDO1 P14902 2/20 0.36
GRM1 Q13255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM5 P41594 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CCR1 P32246 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
SCHEMBL17613400 0.87 TRPV1 (0.39) HTR1AADRA1DADRA1AADRA1BIDO1
SCHEMBL15268007 0.83 SLC40A1 (0.35) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL13230497 0.81 LATS1 (0.33) HTR1AADRA1DADRA1AADRA1BIDO1
SCHEMBL15290719 0.81 IDO1 (0.40) HTR1AADRA1DADRA1AADRA1BIDO1
SCHEMBL17613404 0.80 IDO1 (0.39) HTR1AADRA1DADRA1AADRA1BIDO1
SCHEMBL15268009 0.76 HTR1A (0.38) HTR1AADRA1DADRA1AADRA1BIDO1
SCHEMBL13262272 0.76 KDM4E (0.40) GRM1KDM4ELMNAHTT
SCHEMBL15268011 0.76 HTT (0.41) HTR1AADRA1DADRA1AADRA1BIDO1
SCHEMBL17613403 0.71 CXCR4 (0.43) IDO1
SCHEMBL13230456 0.71 LATS1 (0.34) HTR1AADRA1DADRA1AADRA1BIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249138-B2 Anti-viral compounds ABBVIE INC. (US) 2016-02-02 US disclosed
US-20140213595-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 US disclosed
US-20100160355-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-06-24 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 (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-20140213595-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS HTR1A 4719/4885ADRA1D 4642/4885ADRA1A 4479/4885
US-20100160355-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HTR1A 4719/4885ADRA1D 4642/4885ADRA1A 4479/4885

“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.