SCHEMBL5848485

SCHEMBL5848485

CC(c1ccccc1)N1CC(C)(C)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.56
SLC6A4 P31645 8/20 0.56
NOTUM Q6P988 1/20 0.45
CYP2D6 P10635 1/20 0.43
CNR2 P34972 1/20 0.40
HTR2C P28335 1/20 0.39
SLC6A3 Q01959 2/20 0.39
MC4R P32245 1/20 0.39
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2625762 0.82 SLC6A2 (0.50) SLC6A2SLC6A4NOTUMCNR2HTR2C
Iodide SCHEMBL29267965 0.81 SLC6A2 (0.49) SLC6A2SLC6A4NOTUMCNR2HTR2C
SCHEMBL20250802 0.77 SLC6A2 (0.49) SLC6A2SLC6A4NOTUMCNR2HTR2C
SCHEMBL31467487 0.75 SLC6A2 (0.48) SLC6A2SLC6A4NOTUMCNR2HTR2C
SCHEMBL16684820 0.75 SLC6A2 (0.45) SLC6A2SLC6A4NOTUMCNR2HTR2C
SCHEMBL4079938 0.75 SLC6A2 (0.75) SLC6A2SLC6A4NOTUMSLC6A3
SCHEMBL13209528 0.74 SLC6A2 (0.50) SLC6A2SLC6A4NOTUMCNR2HTR2C
SCHEMBL3151392 0.74 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3
SCHEMBL3151318 0.74 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3138395 0.73 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078567-B2 Amination process JOHNSTON JEFFREY N 2006-07-18 US disclosed
US-20040082778-A1 Amination process JOHNSTON JEFFREY N (US) 2004-04-29 US disclosed
US-6670479-B2 An sp2 hybridized radical is reacted with an azomethine group to form pyrrolidine and indole compounds ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. 2003-12-30 US disclosed
WO-2002072547-A1 AMINATION PROCESS ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) 2002-09-19 WO disclosed
US-20020128490-A1 Amination process ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. 2002-09-12 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-20040082778-A1 Amination process IDO2, INMT, IDO1 SLC6A2 39/4885SLC6A4 46/4885NOTUM 3126/4885
US-20020128490-A1 Amination process IDO2, INMT, IDO1 SLC6A2 36/4885SLC6A4 23/4885NOTUM 2357/4885

“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.