SCHEMBL1920629

SCHEMBL1920629

O=C(O)Cn1ccc2ccc(N3CCNCC3)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR5A P47898 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
USP2 O75604 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
UBE2N P61088 1/20 0.38

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
SCHEMBL3056753 0.84 HTR5A (0.43) CYP3A4CYP2C19HTR5AHTR3EHTR3B
SCHEMBL1919818 0.81 KMT2A (0.49) CYP3A4CYP2C19HTR5AHTR3EHTR3B
SCHEMBL296197 0.79 ENPP2 (0.49)
SCHEMBL30202377 0.79 ENPP2 (0.49)
Hydrochloric Acid SCHEMBL1921111 0.78 ENPP2 (0.49)
SCHEMBL3056004 0.75 ENPP2 (0.47)
SCHEMBL1921273 0.75 HTR1A (0.42) CYP3A4CYP2C19HTR5AHTR3EHTR3B
SCHEMBL22390653 0.73 KMO (0.51) CYP3A4CYP2C19ITGB3ITGA2BUSP2
SCHEMBL18955841 0.73 PSMB1 (0.62) ITGB3ITGA2BKDM4EPSMB1PSMB5
SCHEMBL1920866 0.73 KDM4E (0.46) CYP3A4CYP2C19USP2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299023-B2 Neuropeptide-2 receptor (Y-2R) agonists HOFFMANN-LA ROCHE INC. (US) 2012-10-30 US claimed
EP-2326666-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2011-06-01 EP claimed
WO-2010031707-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO claimed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 US claimed
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 US disclosed
WO-2021067439-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2021-04-08 WO disclosed
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2021-04-01 US disclosed
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RAPAFUSYN PHARMACEUTICALS, INC. 2020-02-06 US disclosed
US-8299023-B2 Neuropeptide-2 receptor (Y-2R) agonists HOFFMANN-LA ROCHE INC. (US) 2012-10-30 US disclosed
EP-2326666-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2011-06-01 EP disclosed
WO-2010031707-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 US 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 (5 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-11066416-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR CYP3A4 3335/4885CYP2C19 3397/4885HTR5A 4189/4885
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS NPY2R, NPY1R, NPY4R CYP3A4 3144/4885CYP2C19 1559/4885HTR5A 337/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR CYP3A4 3335/4885CYP2C19 3397/4885HTR5A 4189/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR CYP3A4 3335/4885CYP2C19 3397/4885HTR5A 4189/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR CYP3A4 3335/4885CYP2C19 3397/4885HTR5A 4189/4885

“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.