SCHEMBL5016940

SCHEMBL5016940

O=C(c1cc2cc(OC3CCN(Cc4ccccc4)C3)ccc2[nH]1)N1CCC(F)(F)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.65
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
ROCK2 O75116 2/20 0.48
CCR2 P41597 2/20 0.48
ROCK1 Q13464 2/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
CHEK2 O96017 1/20 0.47
BCHE P06276 1/20 0.47
MAOA P21397 1/20 0.47
ACHE P22303 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL5016937 1.00 HRH3 (0.65) HRH3MEN1KMT2AKDM4EMAPT
SCHEMBL5024235 0.88 HRH3 (0.65) HRH3MEN1KMT2AROCK2CCR2
SCHEMBL5024247 0.88 HRH3 (0.65) HRH3MEN1KMT2AROCK2CCR2
SCHEMBL5023137 0.82 HRH3 (0.70) HRH3MEN1KMT2AKDM4EMAPT
SCHEMBL5025822 0.81 HRH3 (0.89) HRH3
SCHEMBL5016990 0.81 HRH3 (0.89) HRH3
SCHEMBL5016987 0.81 HRH3 (0.89) HRH3
SCHEMBL1552998 0.80 BCHE (0.70) HRH3MEN1KMT2AKDM4EMAPT
SCHEMBL1552995 0.80 BCHE (0.70) HRH3MEN1KMT2AKDM4EMAPT
SCHEMBL5024324 0.80 HRH3 (0.72) HRH3MEN1KMT2AKDM4EMAPT

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-1761519-B1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-05-07 EP disclosed
US-7361682-B2 Indole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US disclosed
EP-1761519-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005123716-A1 INDOLE DERIVATIVES AS HISTAMINE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed
US-20050282864-A1 Indole derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. 2005-12-22 US 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-20050282864-A1 Indole derivatives as H3 inverse agonists HRH3, HRH4, ADRB1 HRH3 1/4885MEN1 2622/4885KMT2A 546/4885

“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.