SCHEMBL4722308

SCHEMBL4722308

Cc1nc(C(F)(F)F)ccc1C(=O)NCC1(CN2CCOCC2)CCC(S(=O)(=O)CC2CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.45
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
FPR2 P25090 1/20 0.34
CTSS P25774 1/20 0.34

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
SCHEMBL3545064 0.86 SLC6A9 (0.60) SLC6A9NPC1RAB9AGAALMNA
SCHEMBL5918346 0.81 SLC6A9 (0.39) SLC6A9ALDH1A1TP53NPSR1GAA
SCHEMBL5918462 0.80 SLC6A9 (0.61) SLC6A9NPC1RAB9AGAALMNA
SCHEMBL4722312 0.79 HDAC4 (0.42) NPC1RAB9AALDH1A1TP53GLA
SCHEMBL5918404 0.79 SLC6A9 (0.73) SLC6A9
SCHEMBL5918402 0.78 SLC6A9 (0.63) SLC6A9NPC1RAB9AGAALMNA
SCHEMBL3546877 0.76 SLC6A9 (0.58) SLC6A9
SCHEMBL3535787 0.76 SLC6A9 (0.60) SLC6A9
SCHEMBL3542503 0.76 SLC6A9 (0.65) SLC6A9
SCHEMBL3537687 0.76 SLC6A9 (0.57) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893566-B1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME (GB) 2013-02-13 EP claimed
EP-1893566-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LTD. (GB) 2008-03-05 EP claimed
WO-2006131711-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LIMITED (GB) 2006-12-14 WO claimed
US-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-12-07 US claimed
EP-1893566-B1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME (GB) 2013-02-13 EP 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-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia GLRA1, GNMT, MGAT1 SLC6A9 71/4885NPC1 390/4885RAB9A 3150/4885

“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.