SCHEMBL2333476

SCHEMBL2333476

COc1ccc(N2CC(C)(C)NC2=O)cc1N1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
AR P10275 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
PTK2B Q14289 1/20 0.44
HTR1D P28221 12/20 0.43
HTR1B P28222 12/20 0.43
HTR1A P08908 11/20 0.43
HTR6 P50406 9/20 0.43
HTR2A P28223 7/20 0.43
HTR2C P28335 6/20 0.43
HTR7 P34969 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 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
SCHEMBL14733338 0.84 AR (0.47) ARKDM4EGAAMAPTMAPK1
SCHEMBL14733333 0.77 AR (0.50) ARKDM4EMAPTMEN1ALDH1A1
SCHEMBL2325963 0.77 MAPT (0.55) DRD2DRD3KDM4EMAPTHTT
SCHEMBL2328336 0.76 DRD2 (0.47) DRD2DRD3KDM4EGAAMAPT
SCHEMBL2325995 0.76 HTR2C (0.55) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL2330397 0.75 HTR6 (0.56) DRD2DRD3KDM4EGAAMAPK1
SCHEMBL2329746 0.75 MAPT (0.56) DRD2DRD3KDM4EMAPTHTR1D
SCHEMBL2329980 0.74 DRD2 (0.45) DRD2DRD3KDM4EGAAMAPT
SCHEMBL2327923 0.74 MAPT (0.52) DRD2DRD3KDM4EMAPTHTT
SCHEMBL14717225 0.74 DRD2 (0.57) DRD2DRD3KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US claimed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
EP-2536711-A1 5-HT RECEPTOR MODULATORS Cambridge Enterprise Limited (GB) 2012-12-26 EP disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 WO disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A DRD2 176/4885DRD3 510/4885AR 799/4885

“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.