SCHEMBL5481939

SCHEMBL5481939

O=C(NCCCN1CCCCC1)c1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
POLB P06746 1/20 0.57
DRD2 P14416 3/20 0.57
DRD3 P35462 3/20 0.57
MAPT P10636 2/20 0.57
RECQL P46063 1/20 0.57
L3MBTL1 Q9Y468 4/20 0.55
GLA P06280 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL3 Q96JM7 2/20 0.53
NAMPT P43490 1/20 0.53
DRD4 P21917 1/20 0.53

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
SCHEMBL18502044 0.89 L3MBTL3 (0.64) TSHRPOLBDRD2DRD3MAPT
SCHEMBL14430677 0.89 CHRM4 (0.62) POLBMAPTRECQLL3MBTL1GLA
SCHEMBL5481493 0.89 LMNA (0.59) TSHRPOLBDRD2DRD3L3MBTL1
SCHEMBL14006003 0.89 TSHR (0.70) TSHRDRD2DRD3MAPTRECQL
SCHEMBL5474324 0.88 POLB (0.75) POLBMAPTRECQLL3MBTL1GLA
SCHEMBL5483156 0.88 SCN9A (0.59) POLBDRD2DRD3MAPTRECQL
SCHEMBL14430792 0.87 POLB (0.56) POLBMAPTRECQLL3MBTL1GLA
SCHEMBL14430801 0.86 EPHX2 (0.61) POLBDRD3MAPTRECQLL3MBTL1
SCHEMBL5477139 0.86 GLA (0.59) POLBMAPTRECQLL3MBTL1GLA
SCHEMBL5473968 0.85 SCN9A (0.68) POLBDRD3MAPTRECQLL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 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-20070191358-A1 Novel piperidine derivative for the treatment of depression GRIN2C, TPH2, HTR5A TSHR 2374/4885POLB 1519/4885DRD2 5/4885

“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.