SCHEMBL13181925

SCHEMBL13181925

NCCC(c1ccccc1)c1cc(Cl)c2c(c1)CC(C(N)=O)N2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.40
TDP1 Q9NUW8 1/20 0.34
SCN3A Q9NY46 2/20 0.34
CXCR3 P49682 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.33
GCK P35557 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
NOS2 P35228 1/20 0.32
HDAC8 Q9BY41 2/20 0.32

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
SCHEMBL13182026 0.68 HTR2A (0.46) HRH1HTR2AKCNH2CYP2D6SLC6A2
SCHEMBL2305115 0.67 HRH1 (0.43) HRH1HTR2AGCKCYP2D6SLC6A2
SCHEMBL7296446 0.65 HRH1 (0.64) HRH1HTR2AKCNH2CYP2D6SLC6A2
SCHEMBL158098 0.63 HRH1 (1.00) HRH1KMT2AHTR2AKCNH2CYP2D6
SCHEMBL2300341 0.62 HRH1 (0.50) HRH1HTR2ACYP2D6SLC6A2SLC6A4
Iodide SCHEMBL28361744 0.62 HRH1 (0.95) HRH1KMT2AHTR2AKCNH2CYP2D6
Bromide SCHEMBL28357929 0.62 HRH1 (0.95) HRH1KMT2AHTR2AKCNH2CYP2D6
Hydrochloric Acid SCHEMBL5011445 0.62 HRH1 (0.95) HRH1KMT2AHTR2AKCNH2CYP2D6
Ammonia Solution, Strong SCHEMBL3795841 0.62 HRH1 (0.95) HRH1KMT2AHTR2AKCNH2CYP2D6
SCHEMBL7296537 0.61 HRH1 (0.75) HRH1KMT2AHTR2ACYP2D6SLC6A2

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-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 US disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 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-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR HRH1 581/4885TDP1 1415/4885SCN3A 1287/4885

“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.