SCHEMBL2327474

SCHEMBL2327474

C[C@@H]1CN(c2cc(N3CCOC3=O)cc3ccoc23)C[C@H](C)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.36
HTR2C P28335 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ATR Q13535 2/20 0.33
ATRIP Q8WXE1 1/20 0.33
HTT P42858 1/20 0.33
GHSR Q92847 3/20 0.32
F10 P00742 1/20 0.32
TNKS O95271 1/20 0.32
MAP2K1 Q02750 1/20 0.32
IDH1 O75874 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
DRD3 P35462 1/20 0.31
HTR2B P41595 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL2326219 0.81 MAPT (0.39) HTR6HTTHTR1ADRD2HTR1D
SCHEMBL2329704 0.76 GHSR (0.49) GHSR
SCHEMBL12444827 0.74 TNKS (0.34) HTR6TNKSIDH1HTR1ADRD2
SCHEMBL6497184 0.68 DRD2 (0.47) TNKSDRD2DRD3KCNH2
SCHEMBL2360619 0.68 KMT2A (0.38) GHSR
Hydrochloric Acid SCHEMBL6305317 0.65 HTR2C (0.55) HTR2CKCNH2
Hydrochloric Acid SCHEMBL6298012 0.65 HTR2C (0.55) HTR2CKCNH2
SCHEMBL2333109 0.65 MAPT (0.39) HTR6HTTHTR1ADRD2HTR1D
SCHEMBL2329668 0.64 ALOX15 (0.37) IDH1
Hydrochloric Acid SCHEMBL6298306 0.64 HTR2C (0.47) HTR2CHTT

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
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
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 HTR6 6/4885HTR2C 10/4885L3MBTL1 4534/4885

“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.