SCHEMBL14006003

SCHEMBL14006003

O=C(NCCCCN1CCCCC1)c1ccc(Br)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.70
DRD2 P14416 3/20 0.70
DRD3 P35462 3/20 0.70
PHF13 Q86YI8 1/20 0.64
L3MBTL3 Q96JM7 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
DRD4 P21917 1/20 0.60
MAPT P10636 2/20 0.59
RECQL P46063 1/20 0.59
ALDH1A1 P00352 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CCR2 P41597 1/20 0.55

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
SCHEMBL5481939 0.89 TSHR (0.66) TSHRDRD2DRD3PHF13L3MBTL3
SCHEMBL2493968 0.88 ALDH1A1 (0.71) TSHRDRD2DRD3L3MBTL1CYP1A2
SCHEMBL13211890 0.86 NPSR1 (0.77) DRD2DRD3L3MBTL1CYP1A2CYP2D6
SCHEMBL2555571 0.86 CCR3 (0.67) DRD2DRD3CYP1A2CYP2D6CYP2C9
SCHEMBL14679113 0.84 NPSR1 (0.79) DRD2DRD3L3MBTL3L3MBTL1CYP1A2
SCHEMBL4910001 0.84 DRD2 (0.67) TSHRDRD2DRD3DRD4MAPT
SCHEMBL17194365 0.84 L3MBTL3 (0.72) TSHRDRD2DRD3L3MBTL3L3MBTL1
SCHEMBL13211930 0.82 NPSR1 (0.79) L3MBTL3L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL5474202 0.81 ALDH1A1 (0.71) DRD2L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL14006065 0.81 HTR3A (0.73) MAPT

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 TSHR 521/4885DRD2 582/4885DRD3 597/4885

“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.