SCHEMBL5414697

SCHEMBL5414697

O=C(CC(NC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1)NCCCN1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.64
ACHE P22303 1/20 0.53
CHRNA7 P36544 2/20 0.52
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.47
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47

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
SCHEMBL5406811 0.94 HTR3A (0.57) HTR3ACHRNA7MEN1POLBKMT2A
SCHEMBL5418272 0.94 HTR3A (0.57) HTR3ACHRNA7MEN1POLBKMT2A
SCHEMBL5414392 0.94 HTR3A (0.57) HTR3ACHRNA7MEN1POLBKMT2A
SCHEMBL5424797 0.87 CNR1 (0.58) HTR3AMEN1POLBKMT2A
SCHEMBL5403933 0.87 HTR3A (0.53) HTR3AMEN1POLBKMT2ATP53
SCHEMBL5418665 0.87 HTR3A (0.53) HTR3AMEN1POLBKMT2ATP53
SCHEMBL5403939 0.87 HTR3A (0.53) HTR3AMEN1POLBKMT2ATP53
SCHEMBL5409924 0.85 ALDH1A1 (0.51) HTR3AACHEMEN1POLBKMT2A
SCHEMBL14543609 0.84 RAB9A (0.50) HTR3AACHEMEN1POLBKMT2A
SCHEMBL8295531 0.84 RAB9A (0.50) HTR3AACHEMEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US claimed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US claimed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 HTR3A 702/4885ACHE 591/4885CHRNA7 360/4885

“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.