SCHEMBL5826359

SCHEMBL5826359

CCCCC(CO)n1ccc2c(C)nc3c(-c4c(C)cc(C)cc4C)c(C)nn3c21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.39
CRHR1 P34998 8/20 0.37
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5827061 0.94 NPY1R (0.40) NPY1RCRHR1HPGDNPSR1KDM4E
SCHEMBL5826520 0.91 CRHR1 (0.43) NPY1RCRHR1
SCHEMBL5826958 0.90 NPY1R (0.37) NPY1RCRHR1
SCHEMBL5826451 0.89 NPY1R (0.42) NPY1RCRHR1HPGDNPSR1KDM4E
SCHEMBL5826791 0.87 CRHR1 (0.43) NPY1RCRHR1HPGDNPSR1KDM4E
SCHEMBL5826424 0.86 CRHR1 (0.48) NPY1RCRHR1
SCHEMBL5826830 0.83 NPY1R (0.41) NPY1RCRHR1HPGDNPSR1KDM4E
SCHEMBL5826473 0.82 NPY1R (0.42) NPY1RCRHR1KDM4E
SCHEMBL6207079 0.82 CRHR1 (0.37) NPY1RCRHR1HPGDNPSR1KDM4E
SCHEMBL5826934 0.82 CRHR1 (0.42) NPY1RCRHR1HPGDNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995163-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-6951865-B2 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI CO., LTD. (JP) 2005-10-04 US disclosed
US-6927221-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2005-08-09 US disclosed
EP-1238979-B1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2005-03-02 EP disclosed
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
EP-1408040-A1 Tricyclic fused heterocyclic compounds as CRFantagonists Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
US-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-04-24 US disclosed
EP-1238979-A1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-09-11 EP 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 (3 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-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same NR3C2, CRHR1, CRHR2 NPY1R 101/4885CRHR1 2/4885HPGD 1492/4885
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 NPY1R 130/4885CRHR1 2/4885HPGD 2100/4885
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 NPY1R 130/4885CRHR1 2/4885HPGD 2100/4885

“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.