SCHEMBL8133261

SCHEMBL8133261

CCOC(=O)COc1ccccc1N1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.54
SLC6A2 P23975 3/20 0.54
SLC6A4 P31645 3/20 0.54
SLC6A3 Q01959 2/20 0.54
HTR3A P46098 3/20 0.54
HTR6 P50406 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
ADRB1 P08588 1/20 0.54
DRD2 P14416 1/20 0.54
CYP2C19 P33261 1/20 0.54
DRD3 P35462 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.48
USP2 O75604 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL15550254 0.88 USP2 (0.53) LMNAMAPTPKMUSP2L3MBTL1
SCHEMBL3157375 0.86 HTR1A (0.51) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL15819956 0.85 ALDH1A1 (0.57) CYP2C19LMNAMAPTALDH1A1TSHR
SCHEMBL7366945 0.84 HPGD (0.47) HTR3AHTR3EHTR3BCYP2C19HTR3D
SCHEMBL14560018 0.84 HTR1A (0.53) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL7317422 0.82 HTR1A (0.65) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL255189 0.82 HTR1A (0.68) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL7524534 0.82 HTR1A (0.68) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
Hydrochloric Acid SCHEMBL16528267 0.81 MAPT (0.69) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
Bromide SCHEMBL10621563 0.81 HTR1A (0.66) HTR1ASLC6A2SLC6A4SLC6A3HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884107-B2 Human Double Minute 2 (HDM2) protein inhibitors; anticancer agents MERCK (US) 2011-02-08 US disclosed
US-7884107-B2 Human Double Minute 2 (HDM2) protein inhibitors; anticancer agents MERCK (US) 2011-02-08 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 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-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 HTR1A 3136/4885SLC6A2 4851/4885SLC6A4 4787/4885

“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.