SCHEMBL5650226

SCHEMBL5650226

CCOC(=O)N1CCC[C@H]1[C@@H](N)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 2/20 0.47
PREP P48147 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SLC6A2 P23975 3/20 0.45
SLC6A3 Q01959 3/20 0.45
SLC6A4 P31645 2/20 0.45
DPP4 P27487 1/20 0.44

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
SCHEMBL13403256 1.00 CYP3A4 (0.49) CYP3A4CYP2D6CYP1A2TSHRPREP
SCHEMBL27642873 1.00 CYP3A4 (0.49) CYP3A4CYP2D6CYP1A2TSHRPREP
SCHEMBL3536343 0.86 CYP2D6 (0.50) CYP3A4CYP2D6CYP1A2TSHRPREP
Hydrochloric Acid SCHEMBL10985140 0.82 CYP3A4 (0.49) CYP3A4CYP2D6CYP1A2TSHRPREP
SCHEMBL3533638 0.82 DPP4 (0.51) CYP3A4CYP2D6CYP1A2TSHRALDH1A1
SCHEMBL3533636 0.82 DPP4 (0.51) CYP3A4CYP2D6CYP1A2TSHRALDH1A1
SCHEMBL3533635 0.82 DPP4 (0.51) CYP3A4CYP2D6CYP1A2TSHRALDH1A1
SCHEMBL14671686 0.80
SCHEMBL14407316 0.80 CYP3A4 (0.47) CYP3A4CYP2D6CYP1A2TSHRPREP
SCHEMBL14671683 0.77 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4

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-7226917-B2 Derivatives of N-[phenyl(pyrrolidine-2-yl)methyl]benzamide and N-[(azepan-2-yl)phenylmethyl]benzamide, preparation, and use in treatment of schizophrenia SANOFI-AVENTIS (FR) 2007-06-05 US disclosed
US-20060223802-A1 Derivatives of N-[phenyl(pyrrolidine-2-yl)methyl]benzamide and N-[(azepan-2-yl)phenylmethyl]benzamide, preparation method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2006-10-05 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-20060223802-A1 Derivatives of N-[phenyl(pyrrolidine-2-yl)methyl]benzamide and N-[(azepan-2-yl)phenylmethyl]benzamide, preparation method thereof and application of same in therapeutics SNCA, CHRNA10, CHRNA5 CYP3A4 2925/4885CYP2D6 3490/4885CYP1A2 938/4885

“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.