SCHEMBL17830451

SCHEMBL17830451

CC(C)NCC1(c2ccc(F)cc2)CCCC1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.68
SLC6A4 P31645 11/20 0.68
SLC6A2 P23975 5/20 0.54
HSD11B1 P28845 2/20 0.49
OPRM1 P35372 2/20 0.43
CACNA1G O43497 1/20 0.41

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
SCHEMBL8350798 0.84 SLC6A4 (0.47) SLC6A3SLC6A4SLC6A2
SCHEMBL17832228 0.82 SLC6A4 (0.96) SLC6A3SLC6A4SLC6A2HSD11B1
SCHEMBL3518031 0.81 SLC6A4 (1.00) SLC6A3SLC6A4SLC6A2HSD11B1
SCHEMBL16408076 0.81 SLC6A4 (0.69) SLC6A3SLC6A4SLC6A2
SCHEMBL17788480 0.79 SLC6A4 (0.61) SLC6A3SLC6A4SLC6A2
SCHEMBL13539472 0.77 SLC6A4 (0.58) SLC6A3SLC6A4SLC6A2OPRM1
SCHEMBL12000478 0.76 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2HSD11B1OPRM1
SCHEMBL12000464 0.75 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2HSD11B1OPRM1
SCHEMBL14944312 0.73 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2HSD11B1CACNA1G
SCHEMBL12000469 0.72 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2HSD11B1OPRM1

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-9775831-B2 Combinations comprising biphenyl derivatives for use in the treatment of HCV BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9775831-B2 Combinations comprising biphenyl derivatives for use in the treatment of HCV BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-20160166545-A1 COMBINATIONS COMPRISING BIPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF HCV BRISTOL MYERS SQUIBB CO (US) 2016-06-16 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 (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-20160166545-A1 COMBINATIONS COMPRISING BIPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF HCV HAVCR2, EIF2AK2, MAVS SLC6A3 3276/4885SLC6A4 3872/4885SLC6A2 4319/4885

“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.