SCHEMBL14006129

SCHEMBL14006129

COc1ccc(N2CCN(CCCCNC(=O)c3ccc(-c4ncccn4)cc3)CC2)c(OC)c1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.69
DRD3 P35462 12/20 0.69
HTR1A P08908 4/20 0.69
HTR2A P28223 3/20 0.69
HTR2C P28335 3/20 0.69
DRD4 P21917 8/20 0.66
KCNH2 Q12809 1/20 0.66
CYP1A2 P05177 1/20 0.64
MAPT P10636 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HTR2B P41595 2/20 0.62
ADRA1D P25100 1/20 0.61
ADRA1A P35348 1/20 0.61
ADRA1B P35368 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61

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
SCHEMBL1460505 0.92 DRD2 (0.83) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL14006049 0.85 DRD2 (0.66) DRD2DRD3DRD4KCNH2CYP1A2
SCHEMBL1543274 0.85 DRD2 (0.65) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL14006131 0.83 DRD2 (0.65) DRD2DRD3HTR1ADRD4KCNH2
SCHEMBL14006130 0.83 DRD2 (0.63) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL7058606 0.82 DRD2 (0.83) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL3120754 0.82 DRD2 (0.67) DRD2DRD3HTR1ADRD4ADRA1D
SCHEMBL3086024 0.81 DRD2 (1.00) DRD2DRD3HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL6709052 0.81 DRD2 (0.66) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL3117641 0.81 DRD2 (0.63) DRD2DRD3HTR1ADRD4ADRA1D

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-20080275028-A1 Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof SIENA BIOTECH S.P.A. (IT) 2008-11-06 US disclosed
US-20080275028-A1 Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof SIENA BIOTECH S.P.A. (IT) 2008-11-06 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-20080275028-A1 Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof CHRNA7, CHRNA5, CHRNA1 DRD2 582/4885DRD3 597/4885HTR1A 108/4885

“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.