SCHEMBL4877808

SCHEMBL4877808

O=C(O)NC[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CO

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 15/20 0.52
SLC6A4 P31645 14/20 0.52
SLC6A2 P23975 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR2 P41597 2/20 0.39

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
SCHEMBL14255652 0.82 SLC6A3 (0.48) SLC6A3SLC6A4
SCHEMBL4874867 0.82 SLC6A3 (0.48) SLC6A3SLC6A4
SCHEMBL22917996 0.82 SLC6A3 (0.48) SLC6A3SLC6A4
SCHEMBL13698145 0.82 SLC6A3 (0.48) SLC6A3SLC6A4
SCHEMBL8208823 0.82 SLC6A3 (0.48) SLC6A3SLC6A4
SCHEMBL4026465 0.80 SLC6A4 (0.42) SLC6A3SLC6A4SLC6A2
SCHEMBL729968 0.80 SLC6A4 (0.55) SLC6A3SLC6A4SLC6A2
SCHEMBL730532 0.80 SLC6A4 (0.55) SLC6A3SLC6A4SLC6A2
SCHEMBL734761 0.80 SLC6A4 (0.55) SLC6A3SLC6A4SLC6A2
SCHEMBL28074497 0.79 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2CCR2

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-20080058535-A1 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL-3-AZABICYCLO[3.1.0]HEXANES DOV PHARMACEUTICAL, INC. 2008-03-06 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-20080058535-A1 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL-3-AZABICYCLO[3.1.0]HEXANES CYP1B1, CYP2B6, CYP2D6 SLC6A3 982/4885SLC6A4 2230/4885SLC6A2 3023/4885

“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.