SCHEMBL12445167

SCHEMBL12445167

CC(O)C(=O)N1CCN(c2cc(N3CCN(C)CC3)c3occc3c2)S1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 1/20 0.33
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
PTK2B Q14289 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL14716940 1.00 USP9X (0.33) USP9XKDM4ENPC1RAB9AGAA
SCHEMBL12444819 0.87 KDM4E (0.33) KDM4ENPC1RAB9AGAAMAPT
SCHEMBL12444814 0.84 TSHR (0.36) KDM4ENPC1RAB9AALDH1A1
SCHEMBL12444816 0.73 DRD2 (0.36) KDM4EGAAMAPTMAPK1HTT
SCHEMBL12444462 0.68 ACVR1 (0.33)
SCHEMBL2326219 0.67 MAPT (0.39) KDM4EGAAMAPTMAPK1HTT
SCHEMBL2327870 0.67 HPGD (0.43) KDM4EGAAMAPTMAPK1HTT
SCHEMBL10514464 0.67 ALDH1A1 (0.47) ALDH1A1
SCHEMBL3620002 0.66 KDM4E (0.46) KDM4EGAAMAPTMAPK1HTT
SCHEMBL12445165 0.66 MAPT (0.37) KDM4ENPC1RAB9AGAAMAPT

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 4 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 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 USP9X 2593/4885KDM4E 2422/4885NPC1 2273/4885

“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.