SCHEMBL5424797

SCHEMBL5424797

O=C(CC(NC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1)NCCN1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.58
UTS2R Q9UKP6 5/20 0.55
HTR3A P46098 1/20 0.53
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
EPHX2 P34913 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
MCHR1 Q99705 1/20 0.47
GAA P10253 1/20 0.47
AHCY P23526 1/20 0.46

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 0.93 HTR3A (0.57) CNR1HTR3AMEN1POLBKMT2A
SCHEMBL5418272 0.93 HTR3A (0.57) CNR1HTR3AMEN1POLBKMT2A
SCHEMBL5414392 0.93 HTR3A (0.57) CNR1HTR3AMEN1POLBKMT2A
SCHEMBL5403939 0.91 HTR3A (0.53) CNR1UTS2RHTR3AMEN1POLB
SCHEMBL5403933 0.91 HTR3A (0.53) CNR1UTS2RHTR3AMEN1POLB
SCHEMBL5418665 0.91 HTR3A (0.53) CNR1UTS2RHTR3AMEN1POLB
SCHEMBL5409924 0.88 ALDH1A1 (0.51) HTR3AMEN1POLBKMT2ASMN1; SMN2
SCHEMBL5414697 0.87 HTR3A (0.64) HTR3AMEN1POLBKMT2A
SCHEMBL14543609 0.83 RAB9A (0.50) CNR1UTS2RHTR3AMEN1POLB
SCHEMBL8295531 0.83 RAB9A (0.50) CNR1UTS2RHTR3AMEN1POLB

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 CNR1 447/4885UTS2R 855/4885HTR3A 702/4885

“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.