SCHEMBL5453058

SCHEMBL5453058

Clc1ccccc1O[C@@H]1C[C@H]2CC[C@@H](C1)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 1.00
SLC6A2 P23975 13/20 1.00
SLC6A3 Q01959 11/20 1.00
KCNH2 Q12809 1/20 0.46
CHRNA7 P36544 1/20 0.44

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
SCHEMBL5453061 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3KCNH2CHRNA7
SCHEMBL14410831 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3KCNH2CHRNA7
SCHEMBL911696 0.93 SLC6A4 (0.88) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL910969 0.93 SLC6A4 (0.88) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL910970 0.93 SLC6A4 (0.88) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL911647 0.81 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL911664 0.81 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL911648 0.81 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL1029509 0.81 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL1029510 0.81 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3KCNH2

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.