SCHEMBL4171144

SCHEMBL4171144

CN(C(=O)C(F)(F)F)C1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.56
NOTUM Q6P988 8/20 0.51
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 3/20 0.43
RAB9A P51151 1/20 0.43
HSD11B1 P28845 1/20 0.41

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
SCHEMBL7299663 0.81 NPY5R (0.46) NPY5RNOTUMMAPTSMN1; SMN2MAPK1
SCHEMBL803705 0.77 F10 (0.43) NPY5RCYP3A4
SCHEMBL7293116 0.77 MAPT (0.54) MAPTSMN1; SMN2CYP2C9CYP2C19MAPK1
SCHEMBL4171137 0.77 NOTUM (0.48) NPY5RNOTUMMAPTSMN1; SMN2MAPK1
SCHEMBL4169504 0.74 NPY5R (0.53) NPY5RNOTUMMAPTSMN1; SMN2MAPK1
SCHEMBL2636420 0.73 NOTUM (0.44) NPY5RNOTUM
SCHEMBL19652188 0.73 NOTUM (0.52) NPY5RNOTUMMAPTCYP3A4
SCHEMBL14336729 0.72 NPY5R (1.00) NPY5R
SCHEMBL4171141 0.72 CKS1B (0.48) NOTUMMAPTSMN1; SMN2MAPK1HTT
SCHEMBL2636418 0.72 MCHR1 (0.47) NOTUMMAPT

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 NPY5R 186/4885NOTUM 640/4885MAPT 423/4885

“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.