SCHEMBL5452431

SCHEMBL5452431

Clc1ccc(CC[C@@H]2C[C@H]3CC[C@@H](C2)N3)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAOB P27338 1/20 0.47
KCNH2 Q12809 1/20 0.43
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL5452433 1.00 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3MAOBKCNH2
SCHEMBL13134072 0.83 MAOB (0.47) SLC6A4SLC6A2SLC6A3MAOBKCNH2
SCHEMBL6942011 0.82 KCNH2 (0.51) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL5456472 0.82 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3MAOB
SCHEMBL5456466 0.82 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3MAOB
SCHEMBL9562401 0.75 MAOB (0.53) SLC6A4MAOB
SCHEMBL21622788 0.74 MAOB (0.55) SLC6A4SLC6A2SLC6A3MAOBTAAR1
SCHEMBL9178268 0.73 MAOB (0.54) MAOBTAAR1
SCHEMBL9133245 0.71 MAOB (0.53) SLC6A4SLC6A2SLC6A3MAOBKCNH2
SCHEMBL10382747 0.71 MAOB (0.53) SLC6A4SLC6A2SLC6A3MAOBTAAR1

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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR SLC6A4 1446/4885SLC6A2 1034/4885SLC6A3 1022/4885

“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.