SCHEMBL17461968

SCHEMBL17461968

CN1Cc2cc(OBO)ccc2[C@H](c2ccc3ccccc3c2)C1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.58
SLC6A3 Q01959 19/20 0.58
SLC6A4 P31645 18/20 0.58
CYP2D6 P10635 1/20 0.47

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
SCHEMBL17461969 1.00 SLC6A2 (0.58) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL12633242 0.86 SLC6A4 (0.77) SLC6A2SLC6A3SLC6A4
SCHEMBL1120084 0.86 SLC6A4 (0.77) SLC6A2SLC6A3SLC6A4
SCHEMBL1120086 0.86 SLC6A4 (0.77) SLC6A2SLC6A3SLC6A4
SCHEMBL1120128 0.82 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL1503334 0.82 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL16141462 0.82 SLC6A2 (0.73) SLC6A2SLC6A3SLC6A4CYP2D6
SCHEMBL1120170 0.81 SLC6A4 (0.57) SLC6A2SLC6A3SLC6A4
SCHEMBL1120166 0.81 SLC6A4 (0.57) SLC6A2SLC6A3SLC6A4
SCHEMBL4302968 0.81 SLC6A2 (0.73) SLC6A2SLC6A3SLC6A4CYP2D6

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-20160022675-A1 PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2016-01-28 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-20160022675-A1 PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES SDHA, TPH1, TPH2 SLC6A2 221/4885SLC6A3 486/4885SLC6A4 175/4885

“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.