SCHEMBL4171141

SCHEMBL4171141

O=C(NCC1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
NOTUM Q6P988 7/20 0.48
KCNH2 Q12809 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 3/20 0.45
SLC2A1 P11166 1/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.43
CHRM4 P08173 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4169504 0.81 NPY5R (0.53) NOTUMSMN1; SMN2MAPTHTTLMNA
SCHEMBL30817402 0.81 CKS1B (0.51) CKS1BSKP1SKP2SMN1; SMN2MAPT
SCHEMBL30817368 0.77 MAPT (0.53) CKS1BSKP1SKP2SMN1; SMN2MAPT
SCHEMBL13548569 0.73 LMNA (0.55) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL6396760 0.73 NOTUM (0.48) NOTUMSMN1; SMN2MAPTHTTLMNA
SCHEMBL25270202 0.72 NOTUM (0.51) NOTUMKCNH2SMN1; SMN2MAPTHTT
SCHEMBL4171144 0.72 NPY5R (0.56) NOTUMSMN1; SMN2MAPTHTTRAB9A
SCHEMBL4167390 0.71 MAPT (0.56) NOTUMKCNH2SMN1; SMN2MAPTHTT
SCHEMBL12965729 0.71 HDAC3 (0.62)
SCHEMBL12508975 0.71 AKT1 (0.51) KCNH2CACNA1ISMN1; SMN2HTTLMNA

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-20090124663-A1 Novel n-phenyl-piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2009-05-14 US disclosed
EP-1896415-A1 NOVEL N-PHENYL-PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-03-12 EP disclosed
WO-2006131524-A1 NOVEL N-PHENYL-PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-12-14 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-20090124663-A1 Novel n-phenyl-piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC6A2, SLC18A3 CKS1B 4559/4885SKP1 2419/4885SKP2 3180/4885

“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.