SCHEMBL2329980

SCHEMBL2329980

COc1ccc(N2CCN(C(C)(C)C)C2=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
HTR1D P28221 11/20 0.44
HTR1B P28222 11/20 0.44
HTR1A P08908 10/20 0.44
HTR2A P28223 7/20 0.44
HTR2C P28335 6/20 0.44
HTR6 P50406 11/20 0.43
HTR7 P34969 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR1E P28566 1/20 0.41
HTR1F P30939 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2B P41595 1/20 0.41
HTR4 Q13639 1/20 0.41
MEN1 O00255 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
SCHEMBL2325995 0.83 HTR2C (0.55) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL2330397 0.82 HTR6 (0.56) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL12444461 0.80 HTR2C (0.40) HTR2AHTR2CCYP3A4HTR2BMEN1
SCHEMBL2325963 0.77 MAPT (0.55) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL2328336 0.76 DRD2 (0.47) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL12444459 0.75 ALDH1A1 (0.45) MEN1ALDH1A1KMT2AMAPTMAPK1
SCHEMBL2329746 0.75 MAPT (0.56) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL2327923 0.74 MAPT (0.52) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL2333476 0.74 DRD2 (0.45) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL14717225 0.74 DRD2 (0.57) DRD2DRD3HTR1DHTR1BHTR1A

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 7 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
EP-2536711-A1 5-HT RECEPTOR MODULATORS Cambridge Enterprise Limited (GB) 2012-12-26 EP claimed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 WO 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
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US 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 510/4885HTR1D 16/4885

“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.