SCHEMBL17432205

SCHEMBL17432205

Cc1ccc(C(SCCN)c2ccc(C)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.68
SLC6A3 Q01959 2/20 0.68
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
TSHR P16473 1/20 0.67
CYP2C19 P33261 1/20 0.67
KIF11 P52732 4/20 0.42
CYP2A6 P11509 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CHRNA7 P36544 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9771151 0.92 SLC6A3 (0.81) SLC6A4SLC6A3CYP1A2CYP3A4CYP2D6
SCHEMBL16012142 0.81 SLC6A4 (0.66) SLC6A4SLC6A3CYP1A2CYP3A4CYP2D6
SCHEMBL16011789 0.81 SLC6A4 (1.00) SLC6A4SLC6A3CYP1A2CYP3A4CYP2D6
SCHEMBL7428364 0.81 SLC6A3 (0.66) SLC6A4SLC6A3CYP1A2CYP3A4CYP2D6
SCHEMBL7439094 0.80 SLC6A3 (1.00) SLC6A4SLC6A3CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7438013 0.78 SLC6A3 (0.96) SLC6A4SLC6A3CYP1A2CYP3A4CYP2D6
SCHEMBL9829609 0.75 SLC6A3 (0.79) SLC6A4SLC6A3CYP1A2CYP3A4CYP2D6
SCHEMBL19939782 0.75 CHRNA7 (0.41) SLC6A4SLC6A3CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9771072 0.74 SLC6A3 (0.76) SLC6A4SLC6A3CYP1A2CYP3A4CYP2D6
SCHEMBL16011814 0.69 SLC6A3 (0.47) SLC6A4SLC6A3CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160009644-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF The United States of America, as represented by th Secretary, Department of Health and Human Service (US) 2016-01-14 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-20160009644-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF SLC6A2, SLC6A4, SLC6A3 SLC6A4 2/4885SLC6A3 3/4885CYP1A2 580/4885

“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.