SCHEMBL5826685

SCHEMBL5826685

CCCC(=O)CCn1ccc2c(C)nc3c(-c4c(C)cc(C)cc4C)c(C)nn3c21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.37
MAPT P10636 2/20 0.34
GLA P06280 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CRHR1 P34998 5/20 0.31
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL5826933 0.87 NPY1R (0.41) NPY1RMAPTCRHR1
Hydrochloric Acid SCHEMBL5827062 0.85 NPY1R (0.39) NPY1RNPSR1CRHR1
Hydrochloric Acid SCHEMBL5826566 0.84 NPY1R (0.39) NPY1RNPSR1CRHR1
Hydrochloric Acid SCHEMBL5827368 0.83 NPY1R (0.38) NPY1RNPSR1CRHR1
Hydrochloric Acid SCHEMBL5826528 0.83 NPY1R (0.38) NPY1RNPSR1CRHR1
Hydrochloric Acid SCHEMBL5827007 0.82 NPY1R (0.42) NPY1RMAPTCRHR1KDM4E
SCHEMBL5827046 0.81 NPY1R (0.39) NPY1RMAPTTDP1NPSR1CRHR1
SCHEMBL5826627 0.81 NPY1R (0.39) NPY1RMAPTNPSR1CRHR1KDM4E
SCHEMBL5828011 0.81 NPY1R (0.39) NPY1RMAPTCRHR1
SCHEMBL5826684 0.80 NPY1R (0.36) NPY1RMAPTGLATDP1L3MBTL1

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-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
US-20050004159-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 101/4885MAPT 4495/4885GLA 4528/4885
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 NPY1R 130/4885MAPT 4525/4885GLA 4611/4885
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 NPY1R 130/4885MAPT 4525/4885GLA 4611/4885

“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.