SCHEMBL10034775

SCHEMBL10034775

COCCOc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.45
SSTR3 P32745 1/20 0.39
SSTR5 P35346 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.38
RPS6KB1 P23443 7/20 0.36
AKT1 P31749 3/20 0.36
HPGDS O60760 4/20 0.35
HTR1A P08908 3/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 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
SCHEMBL10034786 0.80 SSTR3 (0.36) SSTR3SSTR5KCNH2SCN10ARPS6KB1
SCHEMBL9977148 0.78 RPS6KB1 (0.41) SSTR3SSTR5KCNH2SCN10ARPS6KB1
SCHEMBL881321 0.77 PRCP (0.47) KCNH2HPGDS
SCHEMBL16577384 0.76 RPS6KB1 (0.46) SSTR3SSTR5KCNH2SCN10ARPS6KB1
SCHEMBL9977153 0.76 SCN10A (0.42) KCNH2SCN10AHPGDS
SCHEMBL9977152 0.75 RPS6KB1 (0.39) SSTR3SSTR5KCNH2SCN10ARPS6KB1
SCHEMBL10034783 0.73 HPGDS (0.47) KCNH2HPGDS
SCHEMBL9977151 0.73 RPS6KB1 (0.39) SSTR3SSTR5KCNH2SCN10ARPS6KB1
SCHEMBL16352857 0.72 HPGDS (0.46) SSTR3SSTR5KCNH2SCN10ARPS6KB1
SCHEMBL9977195 0.72 MAPK13 (0.52) SSTR3SSTR5KCNH2SCN10ARPS6KB1

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-8822520-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-02 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-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 SLC6A4 4107/4885SSTR3 4426/4885SSTR5 4662/4885
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 SLC6A4 4107/4885SSTR3 4426/4885SSTR5 4662/4885

“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.