SCHEMBL2405904

SCHEMBL2405904

Cc1ccc(S(=O)(=O)O[C@@H]2CCN(c3nnn(C)n3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 1/20 0.44
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FPR2 P25090 2/20 0.34
PROKR1 Q8TCW9 2/20 0.34
HSD11B1 P28845 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
VDR P11473 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL2405905 1.00 CYP2D6 (0.52) CYP2D6CYP1A2MAPTMEN1KMT2A
SCHEMBL7966928 0.76 CYP2D6 (0.53) CYP2D6CYP1A2MAPTMEN1KMT2A
SCHEMBL8630790 0.76 CYP2D6 (0.53) CYP2D6CYP1A2MAPTMEN1KMT2A
SCHEMBL7964234 0.76 CYP2D6 (0.53) CYP2D6CYP1A2MAPTMEN1KMT2A
SCHEMBL3388527 0.76 CYP2D6 (0.74) CYP2D6CYP1A2KMT2AHTR2AHTR2C
SCHEMBL420300 0.76 CYP2D6 (0.74) CYP2D6CYP1A2KMT2AHTR2AHTR2C
SCHEMBL9705253 0.73 CYP2D6 (0.89) CYP2D6CYP1A2MAPTMEN1KMT2A
SCHEMBL8531228 0.71 CYP2D6 (0.63) CYP2D6CYP1A2MEN1KMT2AHTR2A
SCHEMBL20594955 0.71 CYP2D6 (0.59) CYP2D6CYP1A2MAPTMEN1KMT2A
SCHEMBL3235232 0.71 CYP2D6 (0.59) CYP2D6CYP1A2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212950-A1 4,4-DISUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2011-09-01 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-20110212950-A1 4,4-DISUBSTITUTED PIPERIDINES REN, AGTR2, AVPR2 CYP2D6 55/4885CYP1A2 115/4885MAPT 3847/4885

“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.