SCHEMBL7597898

SCHEMBL7597898

NC(CC[CH]CCCc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 2/20 0.39
HTR2A P28223 1/20 0.39
GRIK1 P39086 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
IDO1 P14902 1/20 0.38

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
Hydrochloric Acid SCHEMBL5622807 0.98 KCNH2 (0.41) KCNH2MAOAMAOBHTR2AGRIK1
SCHEMBL8631288 0.82 KCNH2 (0.50) KCNH2MAOAMAOBHTR2AGRIK1
SCHEMBL7022054 0.80 MAOA (0.52) KCNH2MAOAMAOBHTR2ASIGMAR1
SCHEMBL10345872 0.80 MAOA (0.52) KCNH2MAOAMAOBHTR2ASIGMAR1
SCHEMBL3334933 0.80 SIGMAR1 (0.52) MAOAMAOBHTR2ASIGMAR1IDO1
SCHEMBL7451119 0.79 S1PR2 (0.51) KCNH2MAOAMAOBHTR2ASIGMAR1
SCHEMBL855071 0.78 ANPEP (0.50) KCNH2HTR2A
SCHEMBL5924988 0.78 ANPEP (0.50) KCNH2HTR2A
SCHEMBL8067078 0.78 ANPEP (0.50) KCNH2HTR2A
Hydrochloric Acid SCHEMBL9635016 0.76 ANPEP (0.48) KCNH2MAOAMAOBHTR2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020119979-A1 Acyclic compounds and methods for treating multidrug resistance PROCTER & GAMBLE COMPANY, THE 2002-08-29 US disclosed
WO-2002032871-A2 COMPOUNDS AND METHODS FOR TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2002-04-25 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-20020119979-A1 Acyclic compounds and methods for treating multidrug resistance ABCC1, ABCB1, ABCB11 KCNH2 1507/4885MAOA 1273/4885MAOB 935/4885

“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.