SCHEMBL12445165

SCHEMBL12445165

CN1CCN(c2cc(N3CCN(C)S3(=O)=O)cc3occc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
PTK2B Q14289 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
HTR5A P47898 1/20 0.35
ALDH1A1 P00352 4/20 0.33
USP2 O75604 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
NCF1 P14598 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
USP30 Q70CQ3 2/20 0.32
ADRA2C P18825 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 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
SCHEMBL12444820 0.79 MAPT (0.39) MAPTKDM4EGAAPTK2BMAPK1
SCHEMBL2333109 0.74 MAPT (0.39) MAPTKDM4EGAAPTK2BMAPK1
SCHEMBL12444819 0.68 KDM4E (0.33) MAPTKDM4EGAAPTK2BMAPK1
SCHEMBL3600354 0.68 DRD2 (0.49) MAPTMAPK1DRD2DRD3ADRA2C
SCHEMBL12444814 0.66 TSHR (0.36) KDM4EALDH1A1NPC1RAB9A
SCHEMBL12445167 0.66 USP9X (0.33) MAPTKDM4EGAAPTK2BMAPK1
SCHEMBL14716940 0.66 USP9X (0.33) MAPTKDM4EGAAPTK2BMAPK1
SCHEMBL3676189 0.65 CYP3A4 (0.38) NCF1DRD2DRD3ADRA2CKMT2A
SCHEMBL12444816 0.63 DRD2 (0.36) MAPTKDM4EGAAPTK2BMAPK1
Hydrochloric Acid SCHEMBL8807386 0.63 MAPT (0.47) MAPTKDM4EGAAPTK2BMAPK1

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 5 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
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 MAPT 2442/4885KDM4E 2422/4885GAA 4084/4885

“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.