SCHEMBL5995583

SCHEMBL5995583

Cc1ccc(Sc2ccccc2N2C[C@@H](C)N(CC(=O)O)C[C@@H]2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 1.00
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTR3A P46098 1/20 0.42

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
SCHEMBL5995588 1.00 SLC6A9 (1.00) SLC6A9CYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL5996602 0.90 SLC6A9 (1.00) SLC6A9
SCHEMBL5996606 0.90 SLC6A9 (1.00) SLC6A9
SCHEMBL5997337 0.90 SLC6A9 (1.00) SLC6A9HTR1AHTR3A
SCHEMBL5997331 0.90 SLC6A9 (1.00) SLC6A9HTR1AHTR3A
SCHEMBL5996788 0.88 SLC6A9 (0.82) SLC6A9HTR1AHTR3A
SCHEMBL5997366 0.88 SLC6A9 (0.82) SLC6A9
SCHEMBL5996794 0.88 SLC6A9 (0.82) SLC6A9HTR1AHTR3A
SCHEMBL5997370 0.88 SLC6A9 (0.82) SLC6A9
SCHEMBL1689512 0.88 SLC6A9 (1.00) SLC6A9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223857-A1 Combination of a serotonin reuptake inhibitor and a glycine transporter type 1 inhibitor for the treatment of depression H. LUNDBECK A/S (DK) 2006-10-05 US claimed
US-20060223857-A1 Combination of a serotonin reuptake inhibitor and a glycine transporter type 1 inhibitor for the treatment of depression H. LUNDBECK A/S (DK) 2006-10-05 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-20060223857-A1 Combination of a serotonin reuptake inhibitor and a glycine transporter type 1 inhibitor for the treatment of depression SLC6A4, SLC6A7, SLC6A5 SLC6A9 14/4885CYP1A2 799/4885CYP3A4 833/4885

“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.