SCHEMBL4831485

SCHEMBL4831485

COC(=O)c1ccc2c(C3CCCCC3)cn(CCOc3cccnc3Br)c2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 14/20 0.46
SCN9A Q15858 2/20 0.42
SCN5A Q14524 1/20 0.42
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14263674 0.82 HRH2 (0.41) HRH2HTR2AHTR2CHTR2B
SCHEMBL4830054 0.80 SCN9A (0.49) HRH2SCN9ASCN5ALMNASMN1; SMN2
SCHEMBL14435340 0.78 SCN9A (0.45) HRH2SCN9ASCN5AHTR2AHTR2C
SCHEMBL4831650 0.78 HRH2 (0.48) HRH2SCN9ASCN5AHTR2AHTR2C
SCHEMBL772052 0.77 HRH2 (0.44) HRH2SCN9ASCN5ALMNA
SCHEMBL13577960 0.76 SCN9A (0.46) HRH2SCN9ASCN5ALMNASMN1; SMN2
SCHEMBL4822336 0.76 CNR2 (0.47) HRH2SCN9ASCN5ALMNA
SCHEMBL4827022 0.76 SCN9A (0.46) HRH2SCN9ASCN5ALMNAMAPT
SCHEMBL1260945 0.74 SCN9A (0.65) SCN9ASCN5ALMNASMN1; SMN2
SCHEMBL13577940 0.74 HPGD (0.44) HRH2SCN9ASCN5ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 HRH2 2383/4885SCN9A 4635/4885SCN5A 4645/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 HRH2 2383/4885SCN9A 4635/4885SCN5A 4645/4885

“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.