SCHEMBL4898897

SCHEMBL4898897

CC(C)(C)OC(=O)N1CCC(N2CCc3cc(I)ccc32)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.46
GPR119 Q8TDV5 10/20 0.43
ESR2 Q92731 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
NR1H2 P55055 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 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
SCHEMBL4898763 0.93 GPR119 (0.46) GPR119ESR2KDM4EMAPTTHRB
SCHEMBL4891099 0.89 HCAR1 (0.44) GPR119ESR2NPC1RAB9A
SCHEMBL4114299 0.87 NR1H2 (0.57) USP30GPR119ESR2KDM4EMAPT
SCHEMBL4106892 0.87 FPR2 (0.46) USP30GPR119ESR2KDM4EMAPT
SCHEMBL671254 0.85 GPR119 (0.49) USP30GPR119PIK3R1PIK3CA
SCHEMBL3940077 0.84 USP30 (0.49) USP30GPR119PRMT5WDR77
SCHEMBL4898816 0.81 SFRP1 (0.49) USP30GPR119
SCHEMBL5254230 0.81 TP53 (0.53) GPR119NPC1RAB9A
SCHEMBL2675502 0.81 FPR2 (0.47) USP30GPR119KDM4EMAPTTHRB
SCHEMBL2675691 0.81 NR1H2 (0.52) USP30GPR119NR1H2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318933-A1 5-Sulfonyl-1-Piperidinyl Substituted Indole Derivatives as 5-Ht6 Receptor Antagonists for the Treatment of Cns Disorders GLAXO GROUP LIMITED 2008-12-25 US disclosed
EP-1814873-A2 5-SULFONYL-1-PIPERIDINYL SUBSTITUTED INDOLE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2007-08-08 EP disclosed
WO-2006038006-A2 5-SULFONYL-1-PIPERIDINYL SUBSTITUTED INDOLE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-04-13 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-20080318933-A1 5-Sulfonyl-1-Piperidinyl Substituted Indole Derivatives as 5-Ht6 Receptor Antagonists for the Treatment of Cns Disorders HTR6, HTR5A, TPH1 USP30 2742/4885GPR119 33/4885ESR2 1995/4885

“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.