SCHEMBL14006136

SCHEMBL14006136

CC(=O)N1CCN(CCCCNC(=O)c2ccc(-c3ccccc3C#N)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.58
DRD2 P14416 7/20 0.58
CCR3 P51677 1/20 0.52
DRD4 P21917 3/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KCNH2 Q12809 1/20 0.49
SMYD2 Q9NRG4 1/20 0.48

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
SCHEMBL14006132 0.88 DRD2 (0.59) DRD3DRD2CCR3DRD4SMYD2
SCHEMBL14005928 0.85 DRD3 (0.63) DRD3DRD2DRD4CYP1A2MAPT
SCHEMBL14006045 0.82 DRD3 (0.59) DRD3DRD2DRD4CYP1A2MAPT
SCHEMBL14006044 0.80 DRD2 (0.61) DRD3DRD2DRD4CYP1A2MAPT
SCHEMBL14006130 0.79 DRD2 (0.63) DRD3DRD2DRD4CYP1A2MAPT
SCHEMBL4910001 0.78 DRD2 (0.67) DRD3DRD2DRD4MAPTSMN1; SMN2
SCHEMBL14005944 0.77 DRD2 (0.51) DRD3DRD2CCR3DRD4CYP1A2
SCHEMBL14006134 0.77 BCHE (0.48) DRD3DRD2CCR3MAPTSMYD2
SCHEMBL14005931 0.75 HDAC2 (0.56) DRD3DRD2DRD4CYP1A2MAPT
SCHEMBL14005934 0.75 DRD3 (0.67) DRD3DRD2DRD4

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 DRD3 597/4885DRD2 582/4885CCR3 763/4885

“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.