SCHEMBL14828670

SCHEMBL14828670

CC(=O)C1(Cc2ccccc2)CCCN1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.54
SLC6A4 P31645 4/20 0.54
SLC6A3 Q01959 4/20 0.54
HRH3 Q9Y5N1 4/20 0.52
PARP1 P09874 1/20 0.40
CYP2D6 P10635 3/20 0.39
KCNH2 Q12809 1/20 0.39
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37

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
SCHEMBL440476 0.87 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HRH3PARP1
SCHEMBL414249 0.87 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HRH3PARP1
SCHEMBL10956783 0.87 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HRH3PARP1
SCHEMBL14665138 0.86 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HRH3PARP1
Hydrochloric Acid SCHEMBL7375378 0.86 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3HRH3PARP1
SCHEMBL1052527 0.84 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HRH3PARP1
SCHEMBL1052525 0.84 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HRH3PARP1
Hydrochloric Acid SCHEMBL2084335 0.84 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3HRH3CYP2D6
SCHEMBL14664041 0.84 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3HRH3PARP1
SCHEMBL30979837 0.84 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3HRH3PARP1

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-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 SLC6A2 3799/4885SLC6A4 3830/4885SLC6A3 3411/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 SLC6A2 3799/4885SLC6A4 3830/4885SLC6A3 3411/4885

“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.