SCHEMBL4910001

SCHEMBL4910001

CC(=O)N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.67
DRD3 P35462 5/20 0.67
TSHR P16473 1/20 0.64
DRD4 P21917 3/20 0.62
LMNA P02545 2/20 0.57
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
FPR3 P25089 1/20 0.57
FPR2 P25090 1/20 0.57
DRD1 P21728 1/20 0.53
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CCR2 P41597 1/20 0.52

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
SCHEMBL14006003 0.84 TSHR (0.70) DRD2DRD3TSHRDRD4LMNA
SCHEMBL14006126 0.83 FPR2 (0.66) DRD2DRD4MAPTSMN1; SMN2FPR3
SCHEMBL14005928 0.80 DRD3 (0.63) DRD2DRD3DRD4MAPTSMN1; SMN2
SCHEMBL7056439 0.79 DRD2 (0.76) DRD2DRD3TSHRDRD4
SCHEMBL10720828 0.79 NPSR1 (0.68) DRD2DRD3DRD4LMNAALDH1A1
SCHEMBL14005944 0.78 DRD2 (0.51) DRD2DRD3DRD4LMNAALDH1A1
SCHEMBL14006136 0.78 DRD3 (0.58) DRD2DRD3DRD4MAPTSMN1; SMN2
SCHEMBL7055571 0.77 DRD2 (0.66) DRD2DRD3TSHRDRD4
SCHEMBL14006045 0.77 DRD3 (0.59) DRD2DRD3DRD4MAPTSMN1; SMN2
SCHEMBL7132544 0.77 DRD2 (0.74) DRD2DRD3DRD4ALDH1A1SMN1; SMN2

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 4 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
CN-101018774-A Modulators of alpha7 nicotinic acetylcholine receptors and therapeutic uses thereof SIENA BIOTECH SPA (IT) 2007-08-15 CN disclosed
EP-1778658-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2007-05-02 EP disclosed
WO-2006008133-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2006-01-26 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-20080275028-A1 Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof CHRNA7, CHRNA5, CHRNA1 DRD2 582/4885DRD3 597/4885TSHR 521/4885

“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.