SCHEMBL5409924

SCHEMBL5409924

COc1ccc(C(CC(=O)NCCN2CCCC2)NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTR3A P46098 2/20 0.50
CYP2D6 P10635 1/20 0.49
MCHR1 Q99705 2/20 0.49
POLB P06746 3/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
ACHE P22303 2/20 0.48
TACR2 P21452 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL5414392 0.91 HTR3A (0.57) ALDH1A1MEN1KMT2AHTR3AMCHR1
SCHEMBL5406811 0.91 HTR3A (0.57) ALDH1A1MEN1KMT2AHTR3AMCHR1
SCHEMBL5418272 0.91 HTR3A (0.57) ALDH1A1MEN1KMT2AHTR3AMCHR1
SCHEMBL5403933 0.90 HTR3A (0.53) MEN1KMT2AHTR3AMCHR1POLB
SCHEMBL5403939 0.90 HTR3A (0.53) MEN1KMT2AHTR3AMCHR1POLB
SCHEMBL5418665 0.90 HTR3A (0.53) MEN1KMT2AHTR3AMCHR1POLB
SCHEMBL5424797 0.88 CNR1 (0.58) GAAMEN1KMT2AHTR3AMCHR1
SCHEMBL5414697 0.85 HTR3A (0.64) MEN1KMT2AHTR3ACYP2D6POLB
SCHEMBL8295531 0.81 RAB9A (0.50) ALDH1A1MEN1KMT2AHTR3APOLB
SCHEMBL14543609 0.81 RAB9A (0.50) ALDH1A1MEN1KMT2AHTR3APOLB

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 ALDH1A1 3023/4885GAA 1239/4885MEN1 1713/4885

“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.