SCHEMBL5209559

SCHEMBL5209559

CC(=O)c1cc(F)c(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 7/20 0.43
HTT P42858 3/20 0.41
MAPT P10636 3/20 0.41
HRH3 Q9Y5N1 6/20 0.41
THRB P10828 1/20 0.37
USP30 Q70CQ3 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5211400 0.83 L3MBTL1 (0.51) TSHRALDH1A1HTTMAPTHRH3
SCHEMBL5210622 0.83 HRH3 (0.45) HRH3USP30
SCHEMBL5208026 0.76 HRH3 (0.40) ALDH1A1HRH3USP30
SCHEMBL14431500 0.76 ACACB (0.42) ALDH1A1HRH3SMN1; SMN2LMNAHPGD
SCHEMBL5209386 0.72 KMT2A (0.57) ALDH1A1MAPTHRH3L3MBTL1
SCHEMBL5210761 0.71 HRH3 (0.47) MAPTHRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL5213050 0.71 KMT2A (0.56) ALDH1A1MAPTHRH3L3MBTL1
SCHEMBL5213102 0.71 HRH3 (0.50) HRH3
Hydrochloric Acid SCHEMBL5210391 0.70 HRH3 (0.46) MAPTHRH3SMN1; SMN2
SCHEMBL8257500 0.70 TSHR (0.57) TSHRALDH1A1HTTMAPTTHRB

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-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP claimed
EP-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP disclosed
US-20060247227-A1 Substituted piperidines as histamine h3 receptor ligands BAILEY JAMES M 2006-11-02 US disclosed
EP-1646620-A1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2006-04-19 EP disclosed
WO-2005014571-A1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-02-17 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-20060247227-A1 Substituted piperidines as histamine h3 receptor ligands HRH3, HRH4, HRH1 TSHR 472/4885ALDH1A1 2611/4885HTT 270/4885

“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.