SCHEMBL4894414

SCHEMBL4894414

Brc1ccc2c(c1)CCN2C1CCN2CCCC2C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
L3MBTL3 Q96JM7 7/20 0.38
MBTD1 Q05BQ5 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HRH3 Q9Y5N1 1/20 0.35
ROCK1 Q13464 1/20 0.34
L3MBTL4 Q8NA19 1/20 0.34
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
DRD3 P35462 1/20 0.34
CHRNA7 P36544 1/20 0.33

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
SCHEMBL846217 0.82 DPP4 (0.45) DPP4OPRM1OPRD1OPRK1OPRL1
SCHEMBL2675961 0.77 NOS1 (0.48) DPP4OPRM1OPRD1OPRK1OPRL1
SCHEMBL13989660 0.77 DRD3 (0.47) OPRM1OPRD1OPRK1OPRL1L3MBTL3
Hydrochloric Acid SCHEMBL4894239 0.76 DRD3 (0.46) OPRM1OPRD1OPRK1OPRL1L3MBTL3
SCHEMBL2676477 0.74 NOS1 (0.51) DPP4ROCK1NOS3NOS1NOS2
SCHEMBL2676180 0.73 DPP4 (0.46) DPP4ROCK1NOS3NOS1NOS2
SCHEMBL2710981 0.73 HTR2C (0.56) DPP4NOS3NOS1NOS2HTR2C
SCHEMBL16948342 0.73 HTR2C (0.43) DPP4NOS3NOS1NOS2HTR2C
SCHEMBL18927024 0.73 DPP4 (0.41) DPP4OPRM1OPRD1OPRK1OPRL1
SCHEMBL18917868 0.73 DPP4 (0.41) DPP4OPRM1OPRD1OPRK1OPRL1

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 DPP4 1082/4885OPRM1 169/4885OPRD1 154/4885

“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.