SCHEMBL8138271

SCHEMBL8138271

Oc1ccccc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.62
DRD2 P14416 5/20 0.62
DRD3 P35462 5/20 0.62
SIGMAR1 Q99720 1/20 0.62
GAA P10253 3/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GFER P55789 1/20 0.54

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
SCHEMBL7499884 0.87 DRD4 (0.67) DRD4DRD2DRD3
SCHEMBL6864941 0.82 DRD4 (0.81) DRD4DRD2DRD3SIGMAR1ALDH1A1
SCHEMBL4019882 0.81 GAA (0.70) DRD4GAAALDH1A1LMNAMAPT
SCHEMBL11120307 0.81 GAA (0.70) DRD4GAAALDH1A1LMNAMAPT
SCHEMBL2454168 0.80 DRD4 (0.63) DRD4DRD2DRD3SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL6131815 0.79 ALDH1A1 (0.58) DRD4DRD2DRD3GAAALDH1A1
SCHEMBL17659005 0.79 DRD4 (0.57) DRD4DRD2DRD3SIGMAR1ALDH1A1
SCHEMBL8131885 0.79 ATM (0.67) DRD4DRD2DRD3SIGMAR1ALDH1A1
SCHEMBL13568797 0.79 ALDH1A1 (0.71) DRD4DRD2DRD3SIGMAR1GAA
SCHEMBL4519472 0.79 DRD4 (0.62) DRD4DRD2DRD3SIGMAR1GAA

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-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

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 DRD4 3717/4885DRD2 3748/4885DRD3 4258/4885

“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.