SCHEMBL4983177

SCHEMBL4983177

CN(OC(=O)[C@H](O)c1ccccc1)C1(C)CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.41
SLC6A2 P23975 11/20 0.41
SLC6A3 Q01959 11/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
MLNR O43193 1/20 0.37
NR1I2 O75469 1/20 0.37
ABCB11 O95342 1/20 0.37
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
ABCB1 P08183 1/20 0.37
ADRB1 P08588 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL4990242 0.78 SLC6A2 (0.51) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Mandelic Acid SCHEMBL3893473 0.77 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL19775842 0.69 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4288613 0.69 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL2235604 0.69 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL8254519 0.69 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL3363271 0.68 SLC6A2 (0.48) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL5348264 0.68 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Sertraline SCHEMBL6442186 0.67 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL8814001 0.67 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3MEN1KMT2A

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-20080114071-A1 Processes for preparing sertraline TEVA PHARMACEUTICALS USA, INC. 2008-05-15 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-20080114071-A1 Processes for preparing sertraline HTR5A, HTR1A, SLC6A4 SLC6A4 3/4885SLC6A2 14/4885SLC6A3 84/4885

“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.