SCHEMBL4936751

SCHEMBL4936751

CC(=O)c1ccc(N2CCNCC2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR2C P28335 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
HTR1D P28221 1/20 0.48
THRB P10828 2/20 0.47
MAPT P10636 1/20 0.47
ADRB1 P08588 6/20 0.45
PRKDC P78527 1/20 0.45
ABHD6 Q9BV23 1/20 0.44
MAOB P27338 1/20 0.43
ALK Q9UM73 2/20 0.43
PDK2 Q15119 1/20 0.42
WDR5 P61964 1/20 0.42
USP2 O75604 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
SCHEMBL5864094 0.82 ALDH1A1 (0.52) AOC3ALDH1A1HTR3EHTR3BHTR2C
SCHEMBL4433812 0.81 ACVR1 (0.50) ALDH1A1HTR3EHTR3BHTR2CHTR3A
SCHEMBL11177028 0.79 HTR3E (0.58) AOC3ALDH1A1HTR3EHTR3BHTR2C
SCHEMBL4939443 0.78 ADRB1 (0.61) ALDH1A1HTR3EHTR3BHTR2CHTR3A
SCHEMBL11627069 0.78 ADRB1 (0.65) AOC3ALDH1A1HTR3EHTR3BHTR2C
SCHEMBL9937962 0.77 ADRB1 (0.54) ALDH1A1HTR3EHTR3BHTR2CHTR3A
SCHEMBL11025214 0.77 ADRB1 (0.50) ALDH1A1HTR3EHTR3BHTR2CHTR3A
SCHEMBL2928855 0.76 HTR3E (0.55) AOC3ALDH1A1HTR3EHTR3BHTR2C
SCHEMBL8257139 0.76 ABCB1 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15923406 0.75 IP6K1 (0.58) ALDH1A1MAPTABHD6TSHRHSD17B10

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
EP-1858869-A1 ACYLATED PIPERIDINES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
EP-1858868-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
EP-1856077-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-11-21 EP disclosed
WO-2006094842-A1 ACYLATED PIPERIDIHES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006094842-A1 ACYLATED PIPERIDIHES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006094840-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO disclosed
WO-2006094840-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-09-14 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 (2 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-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors SLC1A1, SLC6A7, SLC1A2 AOC3 1938/4885ALDH1A1 1291/4885HTR3E 1436/4885
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors SLC6A7, SLC6A5, SLC1A2 AOC3 2800/4885ALDH1A1 1381/4885HTR3E 1127/4885

“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.