SCHEMBL4937097

SCHEMBL4937097

Cc1cc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3N3CCCCC3)CC2)nc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.61
ALDH1A1 P00352 3/20 0.60
POLB P06746 1/20 0.60
HPGD P15428 1/20 0.60
ALOX12 P18054 1/20 0.60
KDM4E B2RXH2 4/20 0.56
GAA P10253 2/20 0.56
ACHE P22303 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GPR55 Q9Y2T6 3/20 0.53
CNR1 P21554 2/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CNR2 P34972 1/20 0.51
HTT P42858 1/20 0.51
GBA1 P04062 4/20 0.50
ATM Q13315 1/20 0.48

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
SCHEMBL4937593 0.85 SLC6A9 (0.63) SLC6A9ALDH1A1KDM4EGPR55CNR1
SCHEMBL3920651 0.76 SLC6A9 (1.00) SLC6A9GPR55
SCHEMBL4930192 0.76 SLC6A9 (0.65) SLC6A9ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL29351521 0.75 KDM4E (1.00) ALDH1A1POLBHPGDALOX12KDM4E
SCHEMBL14975993 0.75 KDM4E (1.00) ALDH1A1POLBHPGDALOX12KDM4E
SCHEMBL3923127 0.75 SLC6A9 (0.98) SLC6A9GPR55
SCHEMBL19186959 0.75 SLC6A9 (0.67) SLC6A9ALDH1A1GPR55CNR1KMT2A
SCHEMBL3929854 0.74 SLC6A9 (0.75) SLC6A9ALDH1A1GPR55CNR1KMT2A
SCHEMBL26723750 0.74 KDM4E (1.00) ALDH1A1POLBHPGDALOX12KDM4E
SCHEMBL8257589 0.74 SLC6A9 (0.76) SLC6A9ALDH1A1GPR55CNR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO 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-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors SLC6A7, SLC6A5, SLC1A2 SLC6A9 22/4885ALDH1A1 1381/4885POLB 4502/4885

“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.