SCHEMBL4891099

SCHEMBL4891099

CC(C)(C)OC(=O)N1CCCC(N2CCc3cc(I)ccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GPR119 Q8TDV5 10/20 0.44
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ESR2 Q92731 1/20 0.40

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 0.96 GPR119 (0.46) NPC1RAB9AGPR119TP53ESR2
SCHEMBL4898897 0.89 USP30 (0.46) NPC1RAB9AGPR119ESR2
SCHEMBL5254230 0.84 TP53 (0.53) NPC1RAB9AGPR119TP53
SCHEMBL5256365 0.83 STS (0.47) GPR119TP53ESR2
SCHEMBL30568000 0.83 STS (0.47) GPR119TP53ESR2
SCHEMBL2774721 0.83 SMN1; SMN2 (0.49) GPR119TP53
SCHEMBL4114089 0.83 NR1H2 (0.59) NPC1RAB9AGPR119TP53ESR2
SCHEMBL2709205 0.83 FPR2 (0.51) NPC1RAB9AGPR119TP53ESR2
SCHEMBL26916123 0.82 HTR2C (0.48) HCAR1NPC1RAB9AGPR119TP53
SCHEMBL26916056 0.82 HTR2C (0.48) HCAR1NPC1RAB9AGPR119TP53

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 HCAR1 172/4885NPC1 818/4885RAB9A 2312/4885

“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.